(7R,9S)-7,9-dimethylhexadecan-1-ol

C18H38O — CID 11196523

IUPAC(7R,9S)-7,9-dimethylhexadecan-1-ol
SMILESCCCCCCC[C@H](C)C[C@H](C)CCCCCCO
InChIInChI=1S/C18H38O/c1-4-5-6-7-10-13-17(2)16-18(3)14-11-8-9-12-15-19/h17-19H,4-16H2,1-3H3/t17-,18+/m0/s1
InChIKeyAUXXTEDUWXDSOB-ZWKOTPCHSA-N
MW270.50 g/mol
LogP5.95
Rot. Bonds14

About (7R,9S)-7,9-dimethylhexadecan-1-ol

(7R,9S)-7,9-dimethylhexadecan-1-ol (PubChem CID 11196523) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is (7R,9S)-7,9-dimethylhexadecan-1-ol.

Molecular Properties

Compound Name(7R,9S)-7,9-dimethylhexadecan-1-ol
PubChem CID11196523
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name(7R,9S)-7,9-dimethylhexadecan-1-ol
SMILESCCCCCCC[C@H](C)C[C@H](C)CCCCCCO
InChIInChI=1S/C18H38O/c1-4-5-6-7-10-13-17(2)16-18(3)14-11-8-9-12-15-19/h17-19H,4-16H2,1-3H3/t17-,18+/m0/s1
InChIKeyAUXXTEDUWXDSOB-ZWKOTPCHSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7R,9S)-7,9-dimethylhexadecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(6S)-6-methyloctadecan-1-ol
CID 162994676
6,8-dimethylhexadecane
CID 91185725
(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptamethyltriacontan-1-ol
CID 102327418
(4S,6S)-4,6,9-trimethyloctadecane-1,18-diol
CID 58388501
(4R,6S)-4,6-dimethyldodecane
CID 162976966
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
3,5-dimethylpentacosane
CID 86177199

Frequently Asked Questions

What is the IUPAC name of (7R,9S)-7,9-dimethylhexadecan-1-ol?
The IUPAC name of (7R,9S)-7,9-dimethylhexadecan-1-ol (CID 11196523) is (7R,9S)-7,9-dimethylhexadecan-1-ol.
What is the SMILES notation for (7R,9S)-7,9-dimethylhexadecan-1-ol?
The canonical SMILES for (7R,9S)-7,9-dimethylhexadecan-1-ol is CCCCCCC[C@H](C)C[C@H](C)CCCCCCO.
What is the InChIKey of (7R,9S)-7,9-dimethylhexadecan-1-ol?
The InChIKey is AUXXTEDUWXDSOB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H38O/c1-4-5-6-7-10-13-17(2)16-18(3)14-11-8-9-12-15-19/h17-19H,4-16H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (7R,9S)-7,9-dimethylhexadecan-1-ol?
(7R,9S)-7,9-dimethylhexadecan-1-ol has a molecular weight of 270.50 g/mol, XLogP of 5.95, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9S)-7,9-dimethylhexadecan-1-ol is sourced from PubChem (CID 11196523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).