(Z)-10-hydroxyoctadec-15-enoic acid

C18H34O3 — CID 118047093

IUPAC(Z)-10-hydroxyoctadec-15-enoic acid
SMILESCC/C=C\CCCCC(O)CCCCCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,17,19H,2,5-16H2,1H3,(H,20,21)/b4-3-
InChIKeyGUXVIZDGNKNLAF-ARJAWSKDSA-N
MW298.47 g/mol
LogP5.08
Rot. Bonds15

About (Z)-10-hydroxyoctadec-15-enoic acid

(Z)-10-hydroxyoctadec-15-enoic acid (PubChem CID 118047093) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z)-10-hydroxyoctadec-15-enoic acid.

Molecular Properties

Compound Name(Z)-10-hydroxyoctadec-15-enoic acid
PubChem CID118047093
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(Z)-10-hydroxyoctadec-15-enoic acid
SMILESCC/C=C\CCCCC(O)CCCCCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,17,19H,2,5-16H2,1H3,(H,20,21)/b4-3-
InChIKeyGUXVIZDGNKNLAF-ARJAWSKDSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-10-hydroxyoctadec-15-enoic acid?
The IUPAC name of (Z)-10-hydroxyoctadec-15-enoic acid (CID 118047093) is (Z)-10-hydroxyoctadec-15-enoic acid.
What is the SMILES notation for (Z)-10-hydroxyoctadec-15-enoic acid?
The canonical SMILES for (Z)-10-hydroxyoctadec-15-enoic acid is CC/C=C\CCCCC(O)CCCCCCCCC(=O)O.
What is the InChIKey of (Z)-10-hydroxyoctadec-15-enoic acid?
The InChIKey is GUXVIZDGNKNLAF-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,17,19H,2,5-16H2,1H3,(H,20,21)/b4-3-.
What are the key properties of (Z)-10-hydroxyoctadec-15-enoic acid?
(Z)-10-hydroxyoctadec-15-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)-10-hydroxyoctadec-15-enoic acid is sourced from PubChem (CID 118047093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).