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

C18H34O3 — CID 5282942

IUPAC(Z)-12-hydroxyoctadec-9-enoic acid
SMILESCCCCCCC(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-
InChIKeyWBHHMMIMDMUBKC-XFXZXTDPSA-N
MW298.47 g/mol
LogP5.08
Rot. Bonds15

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

(Z)-12-hydroxyoctadec-9-enoic acid (PubChem CID 5282942) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z)-12-hydroxyoctadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-12-hydroxyoctadec-9-enoic acid
PubChem CID5282942
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(Z)-12-hydroxyoctadec-9-enoic acid
SMILESCCCCCCC(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-
InChIKeyWBHHMMIMDMUBKC-XFXZXTDPSA-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

12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
CID 175884069
CID 175884069
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
2-hydroxyacetic acid;bis((Z)-12-hydroxyoctadec-9-enoic acid);titanium
CID 6437456
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
15-hydroxynonacosa-17,20-dienoic acid
CID 169277174
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974

Frequently Asked Questions

What is the IUPAC name of (Z)-12-hydroxyoctadec-9-enoic acid?
The IUPAC name of (Z)-12-hydroxyoctadec-9-enoic acid (CID 5282942) is (Z)-12-hydroxyoctadec-9-enoic acid.
What is the SMILES notation for (Z)-12-hydroxyoctadec-9-enoic acid?
The canonical SMILES for (Z)-12-hydroxyoctadec-9-enoic acid is CCCCCCC(O)C/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z)-12-hydroxyoctadec-9-enoic acid?
The InChIKey is WBHHMMIMDMUBKC-XFXZXTDPSA-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-.
What are the key properties of (Z)-12-hydroxyoctadec-9-enoic acid?
(Z)-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)-12-hydroxyoctadec-9-enoic acid is sourced from PubChem (CID 5282942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).