1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol

C25H40O — CID 176730363

IUPAC1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol
SMILESCC(C)=CCC(C)CCCC(Cc1ccccc1)CC1(O)CCCCC1
InChIInChI=1S/C25H40O/c1-21(2)15-16-22(3)11-10-14-24(19-23-12-6-4-7-13-23)20-25(26)17-8-5-9-18-25/h4,6-7,12-13,15,22,24,26H,5,8-11,14,16-20H2,1-3H3
InChIKeyOUSTWDJVSFOARD-UHFFFAOYSA-N
MW356.59 g/mol
LogP7.09
Rot. Bonds10

About 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol

1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol (PubChem CID 176730363) has the molecular formula C25H40O and a molecular weight of 356.59 g/mol. Its IUPAC name is 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol
PubChem CID176730363
Molecular FormulaC25H40O
Molecular Weight356.59 g/mol
Exact Mass356.31
IUPAC Name1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol
SMILESCC(C)=CCC(C)CCCC(Cc1ccccc1)CC1(O)CCCCC1
InChIInChI=1S/C25H40O/c1-21(2)15-16-22(3)11-10-14-24(19-23-12-6-4-7-13-23)20-25(26)17-8-5-9-18-25/h4,6-7,12-13,15,22,24,26H,5,8-11,14,16-20H2,1-3H3
InChIKeyOUSTWDJVSFOARD-UHFFFAOYSA-N
XLogP7.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol (CID 176730363) is 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol is CC(C)=CCC(C)CCCC(Cc1ccccc1)CC1(O)CCCCC1.
What is the InChIKey of 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol?
The InChIKey is OUSTWDJVSFOARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O/c1-21(2)15-16-22(3)11-10-14-24(19-23-12-6-4-7-13-23)20-25(26)17-8-5-9-18-25/h4,6-7,12-13,15,22,24,26H,5,8-11,14,16-20H2,1-3H3.
What are the key properties of 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol?
1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol has a molecular weight of 356.59 g/mol, XLogP of 7.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-6,9-dimethyldec-8-enyl)cyclohexan-1-ol is sourced from PubChem (CID 176730363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).