14-methylhexadecan-1-ol

C17H36O — CID 5283264

IUPAC14-methylhexadecan-1-ol
SMILESCCC(C)CCCCCCCCCCCCCO
InChIInChI=1S/C17H36O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h17-18H,3-16H2,1-2H3
InChIKeyWQBUQCSTGAHNSM-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.71
Rot. Bonds14

About 14-methylhexadecan-1-ol

14-methylhexadecan-1-ol (PubChem CID 5283264) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 14-methylhexadecan-1-ol.

Molecular Properties

Compound Name14-methylhexadecan-1-ol
PubChem CID5283264
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name14-methylhexadecan-1-ol
SMILESCCC(C)CCCCCCCCCCCCCO
InChIInChI=1S/C17H36O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h17-18H,3-16H2,1-2H3
InChIKeyWQBUQCSTGAHNSM-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

(11S)-11-methyltridecan-1-ol
CID 71389600
(7S)-7-methylnonan-1-ol
CID 11105641
(10S)-10-methyldodecan-1-ol
CID 11715372
acetic acid;9-methylundecan-1-ol
CID 71407241
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
4,7-dimethylnonan-1-ol
CID 87272409
8,12-dimethylicosane-1,20-diol
CID 170848864
3-(14-methylhexadecoxy)propan-1-ol
CID 59379115
7-methylpentadecan-1-ol
CID 18427312
10-methylhexadecan-1-ol
CID 10244159
6-methylhexadecan-1-ol
CID 22027437
(6S)-6-methyloctadecan-1-ol
CID 162994676

Frequently Asked Questions

What is the IUPAC name of 14-methylhexadecan-1-ol?
The IUPAC name of 14-methylhexadecan-1-ol (CID 5283264) is 14-methylhexadecan-1-ol.
What is the SMILES notation for 14-methylhexadecan-1-ol?
The canonical SMILES for 14-methylhexadecan-1-ol is CCC(C)CCCCCCCCCCCCCO.
What is the InChIKey of 14-methylhexadecan-1-ol?
The InChIKey is WQBUQCSTGAHNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 14-methylhexadecan-1-ol?
14-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 14-methylhexadecan-1-ol is sourced from PubChem (CID 5283264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).