7-methylpentadecan-1-ol

C16H34O — CID 18427312

IUPAC7-methylpentadecan-1-ol
SMILESCCCCCCCCC(C)CCCCCCO
InChIInChI=1S/C16H34O/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17/h16-17H,3-15H2,1-2H3
InChIKeyAATDUADOOPBKAU-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.32
Rot. Bonds13

About 7-methylpentadecan-1-ol

7-methylpentadecan-1-ol (PubChem CID 18427312) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 7-methylpentadecan-1-ol.

Molecular Properties

Compound Name7-methylpentadecan-1-ol
PubChem CID18427312
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name7-methylpentadecan-1-ol
SMILESCCCCCCCCC(C)CCCCCCO
InChIInChI=1S/C16H34O/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17/h16-17H,3-15H2,1-2H3
InChIKeyAATDUADOOPBKAU-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.32
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

10-methylhexadecan-1-ol
CID 10244159
6-methylhexadecan-1-ol
CID 22027437
9-methylhexadecan-1-ol
CID 22027455
(6S)-6-methyloctadecan-1-ol
CID 162994676
(7R,9S)-7,9-dimethylhexadecan-1-ol
CID 11196523
(3S)-3-methylnonacosan-1-ol
CID 10836783
5-methyldodecan-1-ol;sulfuric acid
CID 87950603
11-methylhexadecan-1-ol;sulfuric acid
CID 87591913
10-methylhexadecan-1-ol;sulfuric acid
CID 87592711
(3S,7S,11S,15S)-3,7,11,15-tetramethyldocosan-1-ol
CID 71733863
5-methyltridecan-1-ol sulfate
CID 18328634
6-methyltridecan-1-ol sulfate
CID 18328646

Frequently Asked Questions

What is the IUPAC name of 7-methylpentadecan-1-ol?
The IUPAC name of 7-methylpentadecan-1-ol (CID 18427312) is 7-methylpentadecan-1-ol.
What is the SMILES notation for 7-methylpentadecan-1-ol?
The canonical SMILES for 7-methylpentadecan-1-ol is CCCCCCCCC(C)CCCCCCO.
What is the InChIKey of 7-methylpentadecan-1-ol?
The InChIKey is AATDUADOOPBKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 7-methylpentadecan-1-ol?
7-methylpentadecan-1-ol has a molecular weight of 242.45 g/mol, XLogP of 5.32, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpentadecan-1-ol is sourced from PubChem (CID 18427312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).