AB45996
10191-41-0 | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
Manufacturer: A2B Chem
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CatalogNumber
AB45996
ChemicalName
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
CasNumber
10191-41-0
MolecularFormula
C29H50O2
MolecularWeight
430.7061
MdlNumber
MFCD00072045
Smiles
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C
Complexity
503
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
12
UndefinedAtomStereocenterCount
3
Xlogp3
10.7
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CatalogNumber: AB45996
ChemicalName: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
CasNumber: 10191-41-0
MolecularFormula: C29H50O2
MolecularWeight: 430.7061
MdlNumber: MFCD00072045
Smiles: CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C
Complexity: 503
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 12
UndefinedAtomStereocenterCount: 3
Xlogp3: 10.7
CatalogNumber:
AB45996
ChemicalName:
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
CasNumber:
10191-41-0
MolecularFormula:
C29H50O2
MolecularWeight:
430.7061
MdlNumber:
MFCD00072045
Smiles:
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C
Complexity:
503
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
12
UndefinedAtomStereocenterCount:
3
Xlogp3:
10.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCCCCCCCCCC(=O)O
Complexity: 179
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)CCCCCCCCCCC(=O)O
Complexity:
179
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCC[n+]1ccccc1.[Cl-]
Complexity: __
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HydrogenBondAcceptorCount: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCCCCC[n+]1ccccc1.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: OC(=O)Cc1c[nH][13c]2[13c]1[13cH][13cH][13cH][13cH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1c[nH][13c]2[13c]1[13cH][13cH][13cH][13cH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__