(12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid

C18H30O4 — CID 11243846

IUPAC(12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid
SMILESCC/C=C\C/C=C\CC(=O)C(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,17,20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)/b4-3-,10-7-
InChIKeyNJAYHLDXCVDTEV-ZJSQCTGTSA-N
MW310.43 g/mol
LogP4.03
Rot. Bonds14

About (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid

(12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid (PubChem CID 11243846) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid.

Molecular Properties

Compound Name(12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid
PubChem CID11243846
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid
SMILESCC/C=C\C/C=C\CC(=O)C(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,17,20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)/b4-3-,10-7-
InChIKeyNJAYHLDXCVDTEV-ZJSQCTGTSA-N
XLogP4.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
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 (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid?
The IUPAC name of (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid (CID 11243846) is (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid.
What is the SMILES notation for (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid?
The canonical SMILES for (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid is CC/C=C\C/C=C\CC(=O)C(O)CCCCCCCC(=O)O.
What is the InChIKey of (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid?
The InChIKey is NJAYHLDXCVDTEV-ZJSQCTGTSA-N. The full InChI is InChI=1S/C18H30O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,17,20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)/b4-3-,10-7-.
What are the key properties of (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid?
(12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid has a molecular weight of 310.43 g/mol, XLogP of 4.03, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z,15Z)-9-hydroxy-10-oxooctadeca-12,15-dienoic acid is sourced from PubChem (CID 11243846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).