(5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate

C20H29O3- — CID 71668333

IUPAC(5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate
SMILESCCCCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+
InChIKeyGURBRQGDZZKITB-VXBMJZGYSA-M
MW317.45 g/mol
LogP4.06
Rot. Bonds14

About (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate

(5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate (PubChem CID 71668333) has the molecular formula C20H29O3- and a molecular weight of 317.45 g/mol. Its IUPAC name is (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate.

Molecular Properties

Compound Name(5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate
PubChem CID71668333
Molecular FormulaC20H29O3-
Molecular Weight317.45 g/mol
Exact Mass317.21
IUPAC Name(5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate
SMILESCCCCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+
InChIKeyGURBRQGDZZKITB-VXBMJZGYSA-M
XLogP4.06
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate 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 (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate?
The IUPAC name of (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate (CID 71668333) is (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate.
What is the SMILES notation for (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate?
The canonical SMILES for (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate is CCCCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCC(=O)[O-].
What is the InChIKey of (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate?
The InChIKey is GURBRQGDZZKITB-VXBMJZGYSA-M. The full InChI is InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+.
What are the key properties of (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate?
(5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate has a molecular weight of 317.45 g/mol, XLogP of 4.06, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoate is sourced from PubChem (CID 71668333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).