(9S)-heptadec-1-en-9-ol

C17H34O — CID 86644250

IUPAC(9S)-heptadec-1-en-9-ol
SMILESC=CCCCCCC[C@@H](O)CCCCCCCC
InChIInChI=1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3,17-18H,1,4-16H2,2H3/t17-/m1/s1
InChIKeyZNRZOZDMJDDNAZ-QGZVFWFLSA-N
MW254.46 g/mol
LogP5.62
Rot. Bonds14

About (9S)-heptadec-1-en-9-ol

(9S)-heptadec-1-en-9-ol (PubChem CID 86644250) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is (9S)-heptadec-1-en-9-ol.

Molecular Properties

Compound Name(9S)-heptadec-1-en-9-ol
PubChem CID86644250
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name(9S)-heptadec-1-en-9-ol
SMILESC=CCCCCCC[C@@H](O)CCCCCCCC
InChIInChI=1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3,17-18H,1,4-16H2,2H3/t17-/m1/s1
InChIKeyZNRZOZDMJDDNAZ-QGZVFWFLSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nonadec-18-en-7-ol
CID 54362965
octadec-1-ene;propane-1,2,3-triol
CID 87523216
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
octacos-21-en-10-ol
CID 163011476
(7R)-hexatriacontan-7-ol
CID 88529159
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
nonacosane-7,20-diol
CID 174949468
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
icosan-9-ol
CID 11983377

Frequently Asked Questions

What is the IUPAC name of (9S)-heptadec-1-en-9-ol?
The IUPAC name of (9S)-heptadec-1-en-9-ol (CID 86644250) is (9S)-heptadec-1-en-9-ol.
What is the SMILES notation for (9S)-heptadec-1-en-9-ol?
The canonical SMILES for (9S)-heptadec-1-en-9-ol is C=CCCCCCC[C@@H](O)CCCCCCCC.
What is the InChIKey of (9S)-heptadec-1-en-9-ol?
The InChIKey is ZNRZOZDMJDDNAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3,17-18H,1,4-16H2,2H3/t17-/m1/s1.
What are the key properties of (9S)-heptadec-1-en-9-ol?
(9S)-heptadec-1-en-9-ol has a molecular weight of 254.46 g/mol, XLogP of 5.62, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-heptadec-1-en-9-ol is sourced from PubChem (CID 86644250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).