nonadec-4-ene-1,3-diol

C19H38O2 — CID 91196068

IUPACnonadec-4-ene-1,3-diol
SMILESCCCCCCCCCCCCCCC=CC(O)CCO
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-20/h15-16,19-21H,2-14,17-18H2,1H3
InChIKeyUSFFZEYYHJQGGI-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.38
Rot. Bonds16

About nonadec-4-ene-1,3-diol

nonadec-4-ene-1,3-diol (PubChem CID 91196068) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is nonadec-4-ene-1,3-diol.

Molecular Properties

Compound Namenonadec-4-ene-1,3-diol
PubChem CID91196068
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Namenonadec-4-ene-1,3-diol
SMILESCCCCCCCCCCCCCCC=CC(O)CCO
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-20/h15-16,19-21H,2-14,17-18H2,1H3
InChIKeyUSFFZEYYHJQGGI-UHFFFAOYSA-N
XLogP5.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-Octen-4-ol, (2E)-
CID 5366203
Falcarindiol
CID 5281148
Oenanthotoxin
CID 44138996
Bupleurotoxin
CID 44613554
Heptadeca-1,9-diene-4,6-diyne-3,8-diol
CID 5317309
1,9-Heptadecadiene-4,6-diyne-3,8-diol
CID 6436239
Virol B
CID 10753985
Oplopandiol
CID 6474833
Dendroarboreol A
CID 5469787
(E)-hexadec-2-en-1-ol
CID 5362706
Boletinin C
CID 10426301
Boletinin D
CID 11416024

Frequently Asked Questions

What is the IUPAC name of nonadec-4-ene-1,3-diol?
The IUPAC name of nonadec-4-ene-1,3-diol (CID 91196068) is nonadec-4-ene-1,3-diol.
What is the SMILES notation for nonadec-4-ene-1,3-diol?
The canonical SMILES for nonadec-4-ene-1,3-diol is CCCCCCCCCCCCCCC=CC(O)CCO.
What is the InChIKey of nonadec-4-ene-1,3-diol?
The InChIKey is USFFZEYYHJQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-20/h15-16,19-21H,2-14,17-18H2,1H3.
What are the key properties of nonadec-4-ene-1,3-diol?
nonadec-4-ene-1,3-diol has a molecular weight of 298.51 g/mol, XLogP of 5.38, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-4-ene-1,3-diol is sourced from PubChem (CID 91196068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).