(Z)-4-hydroxyoctadec-7-enoic acid

C18H34O3 — CID 139805456

IUPAC(Z)-4-hydroxyoctadec-7-enoic acid
SMILESCCCCCCCCCC/C=C\CCC(O)CCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h11-12,17,19H,2-10,13-16H2,1H3,(H,20,21)/b12-11-
InChIKeyKLFMXTADDRXKIB-QXMHVHEDSA-N
MW298.47 g/mol
LogP5.08
Rot. Bonds15

About (Z)-4-hydroxyoctadec-7-enoic acid

(Z)-4-hydroxyoctadec-7-enoic acid (PubChem CID 139805456) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z)-4-hydroxyoctadec-7-enoic acid.

Molecular Properties

Compound Name(Z)-4-hydroxyoctadec-7-enoic acid
PubChem CID139805456
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(Z)-4-hydroxyoctadec-7-enoic acid
SMILESCCCCCCCCCC/C=C\CCC(O)CCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h11-12,17,19H,2-10,13-16H2,1H3,(H,20,21)/b12-11-
InChIKeyKLFMXTADDRXKIB-QXMHVHEDSA-N
XLogP5.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.08
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'}

Analyze (Z)-4-hydroxyoctadec-7-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

4-hydroxydocosa-9,13-dienoic acid
CID 139805405
4-hydroxytricosa-8,11,14,17-tetraenoic acid
CID 72505843
14-hydroxydotriacont-20-enoic acid
CID 168720018
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669
(12R)-12-hydroxyicosa-5,8-dienoic acid
CID 91607129
(Z)-tetracos-6-en-10-ol
CID 168947717
4-hydroxyhexadecanoic acid
CID 5282904
(9Z,11E,13E)-4-hydroxyoctadeca-9,11,13-trienoic acid
CID 139805472
decakis((Z)-octadec-9-enoic acid);hexakis(propane-1,2,3-triol)
CID 158491758
octakis((Z)-octadec-9-enoic acid);hexakis(propane-1,2,3-triol)
CID 159051686
propane-1,2,3-triol;tris(tetradec-6-enoic acid)
CID 173409589
(Z)-15-hydroxyoctadec-6-enoic acid
CID 87225177

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxyoctadec-7-enoic acid?
The IUPAC name of (Z)-4-hydroxyoctadec-7-enoic acid (CID 139805456) is (Z)-4-hydroxyoctadec-7-enoic acid.
What is the SMILES notation for (Z)-4-hydroxyoctadec-7-enoic acid?
The canonical SMILES for (Z)-4-hydroxyoctadec-7-enoic acid is CCCCCCCCCC/C=C\CCC(O)CCC(=O)O.
What is the InChIKey of (Z)-4-hydroxyoctadec-7-enoic acid?
The InChIKey is KLFMXTADDRXKIB-QXMHVHEDSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h11-12,17,19H,2-10,13-16H2,1H3,(H,20,21)/b12-11-.
What are the key properties of (Z)-4-hydroxyoctadec-7-enoic acid?
(Z)-4-hydroxyoctadec-7-enoic acid has a molecular weight of 298.47 g/mol, XLogP of 5.08, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxyoctadec-7-enoic acid is sourced from PubChem (CID 139805456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).