(E)-octadec-4-ene-1,3-diol

C18H36O2 — CID 23023404

IUPAC(E)-octadec-4-ene-1,3-diol
SMILESCCCCCCCCCCCCC/C=C/C(O)CCO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19/h14-15,18-20H,2-13,16-17H2,1H3/b15-14+
InChIKeyAPBDGCIFYHFFPG-CCEZHUSRSA-N
MW284.48 g/mol
LogP4.99
Rot. Bonds15

About (E)-octadec-4-ene-1,3-diol

(E)-octadec-4-ene-1,3-diol (PubChem CID 23023404) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (E)-octadec-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-octadec-4-ene-1,3-diol
PubChem CID23023404
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(E)-octadec-4-ene-1,3-diol
SMILESCCCCCCCCCCCCC/C=C/C(O)CCO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)16-17-19/h14-15,18-20H,2-13,16-17H2,1H3/b15-14+
InChIKeyAPBDGCIFYHFFPG-CCEZHUSRSA-N
XLogP4.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.99
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

CID 5366203
CID 5366203
CID 5281148
CID 5281148
CID 44138996
CID 44138996
CID 44613554
CID 44613554
CID 5317309
CID 5317309
CID 10753985
CID 10753985
CID 6436239
CID 6436239
CID 6474833
CID 6474833
CID 5469787
CID 5469787
CID 5362706
CID 5362706
CID 10426301
CID 10426301
CID 11416024
CID 11416024

Frequently Asked Questions

What is the IUPAC name of (E)-octadec-4-ene-1,3-diol?
The IUPAC name of (E)-octadec-4-ene-1,3-diol (CID 23023404) is (E)-octadec-4-ene-1,3-diol.
What is the SMILES notation for (E)-octadec-4-ene-1,3-diol?
The canonical SMILES for (E)-octadec-4-ene-1,3-diol is CCCCCCCCCCCCC/C=C/C(O)CCO.
What is the InChIKey of (E)-octadec-4-ene-1,3-diol?
The InChIKey is APBDGCIFYHFFPG-CCEZHUSRSA-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/h14-15,18-20H,2-13,16-17H2,1H3/b15-14+.
What are the key properties of (E)-octadec-4-ene-1,3-diol?
(E)-octadec-4-ene-1,3-diol has a molecular weight of 284.48 g/mol, XLogP of 4.99, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-4-ene-1,3-diol is sourced from PubChem (CID 23023404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).