AI51680
5208-93-5 | 3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
Manufacturer: A2B Chem
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CatalogNumber
AI51680
ChemicalName
3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
CasNumber
5208-93-5
MolecularFormula
C15H24O
MolecularWeight
220.35046
MdlNumber
MFCD09751288
Smiles
C=CC(C=CC1=C(C)CCCC1(C)C)(O)C
Complexity
333
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.5
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CatalogNumber: AI51680
ChemicalName: 3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
CasNumber: 5208-93-5
MolecularFormula: C15H24O
MolecularWeight: 220.35046
MdlNumber: MFCD09751288
Smiles: C=CC(C=CC1=C(C)CCCC1(C)C)(O)C
Complexity: 333
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.5
CatalogNumber:
AI51680
ChemicalName:
3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
CasNumber:
5208-93-5
MolecularFormula:
C15H24O
MolecularWeight:
220.35046
MdlNumber:
MFCD09751288
Smiles:
C=CC(C=CC1=C(C)CCCC1(C)C)(O)C
Complexity:
333
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.5
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Smiles: C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)F)N
Complexity: __
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RotatableBondCount: __
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Smiles:
C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)F)N
Complexity:
__
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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Xlogp3:
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Smiles: O=Cc1ccc(cc1O)OC(C)C
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Smiles:
O=Cc1ccc(cc1O)OC(C)C
Complexity:
__
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DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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__
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Smiles: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[La+3]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[La+3]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__