(E)-10,11-dihydroxyoctadec-12-enoic acid

C18H34O4 — CID 44633868

IUPAC(E)-10,11-dihydroxyoctadec-12-enoic acid
SMILESCCCCC/C=C/C(O)C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C18H34O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10+
InChIKeyHMZHVHDBBFPBLZ-JLHYYAGUSA-N
MW314.47 g/mol
LogP4.05
Rot. Bonds15

About (E)-10,11-dihydroxyoctadec-12-enoic acid

(E)-10,11-dihydroxyoctadec-12-enoic acid (PubChem CID 44633868) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is (E)-10,11-dihydroxyoctadec-12-enoic acid.

Molecular Properties

Compound Name(E)-10,11-dihydroxyoctadec-12-enoic acid
PubChem CID44633868
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name(E)-10,11-dihydroxyoctadec-12-enoic acid
SMILESCCCCC/C=C/C(O)C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C18H34O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10+
InChIKeyHMZHVHDBBFPBLZ-JLHYYAGUSA-N
XLogP4.05
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-10,11-dihydroxyoctadec-12-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R,8R,9S)-7,8,9-trihydroxyhexadec-10-enoic acid
CID 163042418
(10S,11S)-10,11-dihydroxyoctadeca-8,12-dienoic acid
CID 162998890
(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid
CID 162875566
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(Z)-12,13-dihydroxyoctadec-9-enoic acid
CID 10236635
9-methylnonadec-10-enoic acid
CID 57288184
14-hydroxydotriacont-20-enoic acid
CID 168720018
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669
(8S,9R)-9-hydroxy-8-methyltridec-6-enoic acid
CID 54091133
(E)-8-chlorooctadec-9-enoic acid
CID 87265265

Frequently Asked Questions

What is the IUPAC name of (E)-10,11-dihydroxyoctadec-12-enoic acid?
The IUPAC name of (E)-10,11-dihydroxyoctadec-12-enoic acid (CID 44633868) is (E)-10,11-dihydroxyoctadec-12-enoic acid.
What is the SMILES notation for (E)-10,11-dihydroxyoctadec-12-enoic acid?
The canonical SMILES for (E)-10,11-dihydroxyoctadec-12-enoic acid is CCCCC/C=C/C(O)C(O)CCCCCCCCC(=O)O.
What is the InChIKey of (E)-10,11-dihydroxyoctadec-12-enoic acid?
The InChIKey is HMZHVHDBBFPBLZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H34O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10+.
What are the key properties of (E)-10,11-dihydroxyoctadec-12-enoic acid?
(E)-10,11-dihydroxyoctadec-12-enoic acid has a molecular weight of 314.47 g/mol, XLogP of 4.05, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10,11-dihydroxyoctadec-12-enoic acid is sourced from PubChem (CID 44633868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).