(Z,12R)-12-hydroxyoctadec-9-enoic acid

C18H34O3 — CID 643684

IUPAC(Z,12R)-12-hydroxyoctadec-9-enoic acid
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
InChIKeyWBHHMMIMDMUBKC-QJWNTBNXSA-N
MW298.47 g/mol
LogP5.08
Rot. Bonds15

About (Z,12R)-12-hydroxyoctadec-9-enoic acid

(Z,12R)-12-hydroxyoctadec-9-enoic acid (PubChem CID 643684) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z,12R)-12-hydroxyoctadec-9-enoic acid.

Molecular Properties

Compound Name(Z,12R)-12-hydroxyoctadec-9-enoic acid
PubChem CID643684
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(Z,12R)-12-hydroxyoctadec-9-enoic acid
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
InChIKeyWBHHMMIMDMUBKC-QJWNTBNXSA-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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Related Compounds

Oleic Acid
CID 445639
Linolenic Acid
CID 5280934
Linoleic Acid
CID 5280450
Erucic Acid
CID 5281116
Elaidic Acid
CID 637517
Docosapentaenoic Acid
CID 5497182
Palmitoleic Acid
CID 445638
Glyceryl Monooleate
CID 5283468
Monolinolein
CID 6436630
Dihomo-Gamma-Linolenic Acid
CID 5280581
Linolelaidic Acid
CID 5282457
cis-11-Eicosenoic acid
CID 5282768

Frequently Asked Questions

What is the IUPAC name of (Z,12R)-12-hydroxyoctadec-9-enoic acid?
The IUPAC name of (Z,12R)-12-hydroxyoctadec-9-enoic acid (CID 643684) is (Z,12R)-12-hydroxyoctadec-9-enoic acid.
What is the SMILES notation for (Z,12R)-12-hydroxyoctadec-9-enoic acid?
The canonical SMILES for (Z,12R)-12-hydroxyoctadec-9-enoic acid is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z,12R)-12-hydroxyoctadec-9-enoic acid?
The InChIKey is WBHHMMIMDMUBKC-QJWNTBNXSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1.
What are the key properties of (Z,12R)-12-hydroxyoctadec-9-enoic acid?
(Z,12R)-12-hydroxyoctadec-9-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,12R)-12-hydroxyoctadec-9-enoic acid is sourced from PubChem (CID 643684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).