(E)-12-oxooctadec-10-enoic acid

C18H32O3 — CID 5312910

IUPAC(E)-12-oxooctadec-10-enoic acid
SMILESCCCCCCC(=O)/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h12,15H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
InChIKeyHOGGRKZIIRPLLG-NTCAYCPXSA-N
MW296.45 g/mol
LogP5.29
Rot. Bonds15

About (E)-12-oxooctadec-10-enoic acid

(E)-12-oxooctadec-10-enoic acid (PubChem CID 5312910) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (E)-12-oxooctadec-10-enoic acid.

Molecular Properties

Compound Name(E)-12-oxooctadec-10-enoic acid
PubChem CID5312910
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(E)-12-oxooctadec-10-enoic acid
SMILESCCCCCCC(=O)/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h12,15H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+
InChIKeyHOGGRKZIIRPLLG-NTCAYCPXSA-N
XLogP5.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-12-oxooctadec-10-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-12-oxooctadec-10-enoic acid?
The IUPAC name of (E)-12-oxooctadec-10-enoic acid (CID 5312910) is (E)-12-oxooctadec-10-enoic acid.
What is the SMILES notation for (E)-12-oxooctadec-10-enoic acid?
The canonical SMILES for (E)-12-oxooctadec-10-enoic acid is CCCCCCC(=O)/C=C/CCCCCCCCC(=O)O.
What is the InChIKey of (E)-12-oxooctadec-10-enoic acid?
The InChIKey is HOGGRKZIIRPLLG-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h12,15H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+.
What are the key properties of (E)-12-oxooctadec-10-enoic acid?
(E)-12-oxooctadec-10-enoic acid has a molecular weight of 296.45 g/mol, XLogP of 5.29, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-oxooctadec-10-enoic acid is sourced from PubChem (CID 5312910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).