(Z)-12-hydroxyoctadec-9-enoate

C18H33O3- — CID 46173162

IUPAC(Z)-12-hydroxyoctadec-9-enoate
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)/p-1/b12-9-
InChIKeyWBHHMMIMDMUBKC-XFXZXTDPSA-M
MW297.46 g/mol
LogP3.74
Rot. Bonds15

About (Z)-12-hydroxyoctadec-9-enoate

(Z)-12-hydroxyoctadec-9-enoate (PubChem CID 46173162) has the molecular formula C18H33O3- and a molecular weight of 297.46 g/mol. Its IUPAC name is (Z)-12-hydroxyoctadec-9-enoate.

Molecular Properties

Compound Name(Z)-12-hydroxyoctadec-9-enoate
PubChem CID46173162
Molecular FormulaC18H33O3-
Molecular Weight297.46 g/mol
Exact Mass297.24
IUPAC Name(Z)-12-hydroxyoctadec-9-enoate
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)/p-1/b12-9-
InChIKeyWBHHMMIMDMUBKC-XFXZXTDPSA-M
XLogP3.74
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-12-hydroxyoctadec-9-enoate?
The IUPAC name of (Z)-12-hydroxyoctadec-9-enoate (CID 46173162) is (Z)-12-hydroxyoctadec-9-enoate.
What is the SMILES notation for (Z)-12-hydroxyoctadec-9-enoate?
The canonical SMILES for (Z)-12-hydroxyoctadec-9-enoate is CCCCCCC(O)C/C=C\CCCCCCCC(=O)[O-].
What is the InChIKey of (Z)-12-hydroxyoctadec-9-enoate?
The InChIKey is WBHHMMIMDMUBKC-XFXZXTDPSA-M. 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)/p-1/b12-9-.
What are the key properties of (Z)-12-hydroxyoctadec-9-enoate?
(Z)-12-hydroxyoctadec-9-enoate has a molecular weight of 297.46 g/mol, XLogP of 3.74, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-hydroxyoctadec-9-enoate is sourced from PubChem (CID 46173162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).