(7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol

C19H36O — CID 10755238

IUPAC(7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol
SMILESCCCCC#C[C@H](C)C[C@@H](O)C[C@@H](C)CCCCCC
InChIInChI=1S/C19H36O/c1-5-7-9-11-13-17(3)15-19(20)16-18(4)14-12-10-8-6-2/h17-20H,5-11,13,15-16H2,1-4H3/t17-,18-,19-/m0/s1
InChIKeyWGKAYBJHKJFXGA-FHWLQOOXSA-N
MW280.50 g/mol
LogP5.56
Rot. Bonds11

About (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol

(7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol (PubChem CID 10755238) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol.

Molecular Properties

Compound Name(7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol
PubChem CID10755238
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol
SMILESCCCCC#C[C@H](C)C[C@@H](O)C[C@@H](C)CCCCCC
InChIInChI=1S/C19H36O/c1-5-7-9-11-13-17(3)15-19(20)16-18(4)14-12-10-8-6-2/h17-20H,5-11,13,15-16H2,1-4H3/t17-,18-,19-/m0/s1
InChIKeyWGKAYBJHKJFXGA-FHWLQOOXSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-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

8,11,16-trimethylpentacos-12-yne
CID 22223790
3-methyltridecan-5-ol
CID 13025106
9-methylhexadec-5-yne
CID 22223866
heptacos-10-yn-9-ol
CID 11058298
tetracos-13-yn-12-ol
CID 169488986
6,8-dimethylhexadecane
CID 91185725
8-methylheptadec-5-yne
CID 22224327
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
18,21-dimethyloctacos-12-yne
CID 22224150
3,5-dimethylpentacosane
CID 86177199
hentriacontane-14,16-diol
CID 87514654

Frequently Asked Questions

What is the IUPAC name of (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol?
The IUPAC name of (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol (CID 10755238) is (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol.
What is the SMILES notation for (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol?
The canonical SMILES for (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol is CCCCC#C[C@H](C)C[C@@H](O)C[C@@H](C)CCCCCC.
What is the InChIKey of (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol?
The InChIKey is WGKAYBJHKJFXGA-FHWLQOOXSA-N. The full InChI is InChI=1S/C19H36O/c1-5-7-9-11-13-17(3)15-19(20)16-18(4)14-12-10-8-6-2/h17-20H,5-11,13,15-16H2,1-4H3/t17-,18-,19-/m0/s1.
What are the key properties of (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol?
(7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol has a molecular weight of 280.50 g/mol, XLogP of 5.56, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9S,11S)-7,11-dimethylheptadec-5-yn-9-ol is sourced from PubChem (CID 10755238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).