(6S)-6-methyloctadecan-1-ol

C19H40O — CID 162994676

IUPAC(6S)-6-methyloctadecan-1-ol
SMILESCCCCCCCCCCCC[C@H](C)CCCCCO
InChIInChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)17-14-12-15-18-20/h19-20H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyXVLNBIZKLBGPFL-IBGZPJMESA-N
MW284.53 g/mol
LogP6.49
Rot. Bonds16

About (6S)-6-methyloctadecan-1-ol

(6S)-6-methyloctadecan-1-ol (PubChem CID 162994676) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is (6S)-6-methyloctadecan-1-ol.

Molecular Properties

Compound Name(6S)-6-methyloctadecan-1-ol
PubChem CID162994676
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name(6S)-6-methyloctadecan-1-ol
SMILESCCCCCCCCCCCC[C@H](C)CCCCCO
InChIInChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)17-14-12-15-18-20/h19-20H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyXVLNBIZKLBGPFL-IBGZPJMESA-N
XLogP6.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.49
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
9-methylhexadecan-1-ol
CID 22027455
(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-methylpentadecan-1-ol sulfate
CID 22027428
5-methyltridecan-1-ol sulfate
CID 18328634

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyloctadecan-1-ol?
The IUPAC name of (6S)-6-methyloctadecan-1-ol (CID 162994676) is (6S)-6-methyloctadecan-1-ol.
What is the SMILES notation for (6S)-6-methyloctadecan-1-ol?
The canonical SMILES for (6S)-6-methyloctadecan-1-ol is CCCCCCCCCCCC[C@H](C)CCCCCO.
What is the InChIKey of (6S)-6-methyloctadecan-1-ol?
The InChIKey is XVLNBIZKLBGPFL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H40O/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)17-14-12-15-18-20/h19-20H,3-18H2,1-2H3/t19-/m0/s1.
What are the key properties of (6S)-6-methyloctadecan-1-ol?
(6S)-6-methyloctadecan-1-ol has a molecular weight of 284.53 g/mol, XLogP of 6.49, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyloctadecan-1-ol is sourced from PubChem (CID 162994676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).