heptadec-1-en-3-ol

C17H34O — CID 11858939

IUPACheptadec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCCCCC
InChIInChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,17-18H,2-3,5-16H2,1H3
InChIKeyJRGQCCLYNSITGX-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.62
Rot. Bonds14

About heptadec-1-en-3-ol

heptadec-1-en-3-ol (PubChem CID 11858939) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is heptadec-1-en-3-ol.

Molecular Properties

Compound Nameheptadec-1-en-3-ol
PubChem CID11858939
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Nameheptadec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCCCCC
InChIInChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,17-18H,2-3,5-16H2,1H3
InChIKeyJRGQCCLYNSITGX-UHFFFAOYSA-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

undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
oct-1-en-3-ol;propanoic acid
CID 57351786
(11Z,14Z)-icosa-1,11,14-trien-3-ol
CID 176937263
(3S,5R,6R)-tridec-1-ene-3,5,6-triol
CID 88872101
undec-10-ene-2,9-diol
CID 174994390
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
ethenol;heptadecane
CID 158851930
(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
3-ethenylnon-1-ene
CID 123641938
hept-6-ene-1,5-diol
CID 13479548
10-ethenylnonadecane
CID 57244946

Frequently Asked Questions

What is the IUPAC name of heptadec-1-en-3-ol?
The IUPAC name of heptadec-1-en-3-ol (CID 11858939) is heptadec-1-en-3-ol.
What is the SMILES notation for heptadec-1-en-3-ol?
The canonical SMILES for heptadec-1-en-3-ol is C=CC(O)CCCCCCCCCCCCCC.
What is the InChIKey of heptadec-1-en-3-ol?
The InChIKey is JRGQCCLYNSITGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,17-18H,2-3,5-16H2,1H3.
What are the key properties of heptadec-1-en-3-ol?
heptadec-1-en-3-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 heptadec-1-en-3-ol is sourced from PubChem (CID 11858939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).