8-benzylpentadecan-8-ol

C22H38O — CID 13016086

IUPAC8-benzylpentadecan-8-ol
SMILESCCCCCCCC(O)(CCCCCCC)Cc1ccccc1
InChIInChI=1S/C22H38O/c1-3-5-7-9-14-18-22(23,19-15-10-8-6-4-2)20-21-16-12-11-13-17-21/h11-13,16-17,23H,3-10,14-15,18-20H2,1-2H3
InChIKeyVAEVTSSWHGQNAX-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.68
Rot. Bonds14

About 8-benzylpentadecan-8-ol

8-benzylpentadecan-8-ol (PubChem CID 13016086) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 8-benzylpentadecan-8-ol.

Molecular Properties

Compound Name8-benzylpentadecan-8-ol
PubChem CID13016086
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name8-benzylpentadecan-8-ol
SMILESCCCCCCCC(O)(CCCCCCC)Cc1ccccc1
InChIInChI=1S/C22H38O/c1-3-5-7-9-14-18-22(23,19-15-10-8-6-4-2)20-21-16-12-11-13-17-21/h11-13,16-17,23H,3-10,14-15,18-20H2,1-2H3
InChIKeyVAEVTSSWHGQNAX-UHFFFAOYSA-N
XLogP6.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,2-dibenzyltetradecanoic acid
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Frequently Asked Questions

What is the IUPAC name of 8-benzylpentadecan-8-ol?
The IUPAC name of 8-benzylpentadecan-8-ol (CID 13016086) is 8-benzylpentadecan-8-ol.
What is the SMILES notation for 8-benzylpentadecan-8-ol?
The canonical SMILES for 8-benzylpentadecan-8-ol is CCCCCCCC(O)(CCCCCCC)Cc1ccccc1.
What is the InChIKey of 8-benzylpentadecan-8-ol?
The InChIKey is VAEVTSSWHGQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-3-5-7-9-14-18-22(23,19-15-10-8-6-4-2)20-21-16-12-11-13-17-21/h11-13,16-17,23H,3-10,14-15,18-20H2,1-2H3.
What are the key properties of 8-benzylpentadecan-8-ol?
8-benzylpentadecan-8-ol has a molecular weight of 318.55 g/mol, XLogP of 6.68, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzylpentadecan-8-ol is sourced from PubChem (CID 13016086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).