AB47552
70969-58-3 | Diisobutyl cyclohexane-1,2-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB47552
ChemicalName
Diisobutyl cyclohexane-1,2-dicarboxylate
CasNumber
70969-58-3
MolecularFormula
C16H28O4
MolecularWeight
284.3911
MdlNumber
MFCD30474813
Smiles
CC(COC(=O)C1CCCCC1C(=O)OCC(C)C)C
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
8
UndefinedAtomStereocenterCount
2
Xlogp3
4.2
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CatalogNumber: AB47552
ChemicalName: Diisobutyl cyclohexane-1,2-dicarboxylate
CasNumber: 70969-58-3
MolecularFormula: C16H28O4
MolecularWeight: 284.3911
MdlNumber: MFCD30474813
Smiles: CC(COC(=O)C1CCCCC1C(=O)OCC(C)C)C
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 2
Xlogp3: 4.2
CatalogNumber:
AB47552
ChemicalName:
Diisobutyl cyclohexane-1,2-dicarboxylate
CasNumber:
70969-58-3
MolecularFormula:
C16H28O4
MolecularWeight:
284.3911
MdlNumber:
MFCD30474813
Smiles:
CC(COC(=O)C1CCCCC1C(=O)OCC(C)C)C
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
2
Xlogp3:
4.2
CatalogNumber: AB47553
ChemicalName: Dibutyl 2-butoxysuccinate
CasNumber: 63842-87-5
MolecularFormula: C16H30O5
MolecularWeight: 302.4064
MdlNumber: MFCD30475376
Smiles: CCCCOC(=O)CC(C(=O)OCCCC)OCCCC
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 15
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.6
CatalogNumber:
AB47553
ChemicalName:
Dibutyl 2-butoxysuccinate
CasNumber:
63842-87-5
MolecularFormula:
C16H30O5
MolecularWeight:
302.4064
MdlNumber:
MFCD30475376
Smiles:
CCCCOC(=O)CC(C(=O)OCCCC)OCCCC
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
15
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cl[Ir](Cl)Cl.O.O.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cl[Ir](Cl)Cl.O.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccccc1)(N)C
Complexity: 101
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccccc1)(N)C
Complexity:
101
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6