(E)-octadec-1-ene-1,3-diol

C18H36O2 — CID 23159559

IUPAC(E)-octadec-1-ene-1,3-diol
SMILESCCCCCCCCCCCCCCCC(O)/C=C/O
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19/h16-20H,2-15H2,1H3/b17-16+
InChIKeyVXAUBDBGICQQLS-WUKNDPDISA-N
MW284.48 g/mol
LogP5.90
Rot. Bonds15

About (E)-octadec-1-ene-1,3-diol

(E)-octadec-1-ene-1,3-diol (PubChem CID 23159559) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (E)-octadec-1-ene-1,3-diol.

Molecular Properties

Compound Name(E)-octadec-1-ene-1,3-diol
PubChem CID23159559
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(E)-octadec-1-ene-1,3-diol
SMILESCCCCCCCCCCCCCCCC(O)/C=C/O
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19/h16-20H,2-15H2,1H3/b17-16+
InChIKeyVXAUBDBGICQQLS-WUKNDPDISA-N
XLogP5.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-octadec-1-ene-1,3-diol?
The IUPAC name of (E)-octadec-1-ene-1,3-diol (CID 23159559) is (E)-octadec-1-ene-1,3-diol.
What is the SMILES notation for (E)-octadec-1-ene-1,3-diol?
The canonical SMILES for (E)-octadec-1-ene-1,3-diol is CCCCCCCCCCCCCCCC(O)/C=C/O.
What is the InChIKey of (E)-octadec-1-ene-1,3-diol?
The InChIKey is VXAUBDBGICQQLS-WUKNDPDISA-N. The full InChI is InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19/h16-20H,2-15H2,1H3/b17-16+.
What are the key properties of (E)-octadec-1-ene-1,3-diol?
(E)-octadec-1-ene-1,3-diol has a molecular weight of 284.48 g/mol, XLogP of 5.90, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-1-ene-1,3-diol is sourced from PubChem (CID 23159559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).