9-methylhexadecan-1-ol

C17H36O — CID 22027455

IUPAC9-methylhexadecan-1-ol
SMILESCCCCCCCC(C)CCCCCCCCO
InChIInChI=1S/C17H36O/c1-3-4-5-8-11-14-17(2)15-12-9-6-7-10-13-16-18/h17-18H,3-16H2,1-2H3
InChIKeyZMYYAKLNVBDHJK-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.71
Rot. Bonds14

About 9-methylhexadecan-1-ol

9-methylhexadecan-1-ol (PubChem CID 22027455) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 9-methylhexadecan-1-ol.

Molecular Properties

Compound Name9-methylhexadecan-1-ol
PubChem CID22027455
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name9-methylhexadecan-1-ol
SMILESCCCCCCCC(C)CCCCCCCCO
InChIInChI=1S/C17H36O/c1-3-4-5-8-11-14-17(2)15-12-9-6-7-10-13-16-18/h17-18H,3-16H2,1-2H3
InChIKeyZMYYAKLNVBDHJK-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.71
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
7-methylpentadecan-1-ol
CID 18427312
6-methylhexadecan-1-ol
CID 22027437
(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
10-methylpentadecan-1-ol sulfate
CID 22027470

Frequently Asked Questions

What is the IUPAC name of 9-methylhexadecan-1-ol?
The IUPAC name of 9-methylhexadecan-1-ol (CID 22027455) is 9-methylhexadecan-1-ol.
What is the SMILES notation for 9-methylhexadecan-1-ol?
The canonical SMILES for 9-methylhexadecan-1-ol is CCCCCCCC(C)CCCCCCCCO.
What is the InChIKey of 9-methylhexadecan-1-ol?
The InChIKey is ZMYYAKLNVBDHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-3-4-5-8-11-14-17(2)15-12-9-6-7-10-13-16-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 9-methylhexadecan-1-ol?
9-methylhexadecan-1-ol has a molecular weight of 256.47 g/mol, XLogP of 5.71, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylhexadecan-1-ol is sourced from PubChem (CID 22027455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).