15-oxopentadeca-9,12-dienoic acid

C15H24O3 — CID 86257991

IUPAC15-oxopentadeca-9,12-dienoic acid
SMILESO=CCC=CCC=CCCCCCCCC(=O)O
InChIInChI=1S/C15H24O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h2,4,8,10,14H,1,3,5-7,9,11-13H2,(H,17,18)
InChIKeyGHBXQAFIBNLGAN-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.89
Rot. Bonds12

About 15-oxopentadeca-9,12-dienoic acid

15-oxopentadeca-9,12-dienoic acid (PubChem CID 86257991) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 15-oxopentadeca-9,12-dienoic acid.

Molecular Properties

Compound Name15-oxopentadeca-9,12-dienoic acid
PubChem CID86257991
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name15-oxopentadeca-9,12-dienoic acid
SMILESO=CCC=CCC=CCCCCCCCC(=O)O
InChIInChI=1S/C15H24O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h2,4,8,10,14H,1,3,5-7,9,11-13H2,(H,17,18)
InChIKeyGHBXQAFIBNLGAN-UHFFFAOYSA-N
XLogP3.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
tetradeca-5,8-dienedioic acid
CID 54091580
(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
tetradec-6-enedioic acid
CID 151545129
octadeca-3,6,9-trienedioic acid
CID 54105709
(9Z,12Z)-18-amino-18-oxooctadeca-9,12-dienoic acid
CID 87384657
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
octacosa-20,23,26-trienoic acid
CID 169277364
(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid
CID 87227113

Frequently Asked Questions

What is the IUPAC name of 15-oxopentadeca-9,12-dienoic acid?
The IUPAC name of 15-oxopentadeca-9,12-dienoic acid (CID 86257991) is 15-oxopentadeca-9,12-dienoic acid.
What is the SMILES notation for 15-oxopentadeca-9,12-dienoic acid?
The canonical SMILES for 15-oxopentadeca-9,12-dienoic acid is O=CCC=CCC=CCCCCCCCC(=O)O.
What is the InChIKey of 15-oxopentadeca-9,12-dienoic acid?
The InChIKey is GHBXQAFIBNLGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h2,4,8,10,14H,1,3,5-7,9,11-13H2,(H,17,18).
What are the key properties of 15-oxopentadeca-9,12-dienoic acid?
15-oxopentadeca-9,12-dienoic acid has a molecular weight of 252.35 g/mol, XLogP of 3.89, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxopentadeca-9,12-dienoic acid is sourced from PubChem (CID 86257991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).