(11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one

C23H40O — CID 155188256

IUPAC(11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one
SMILESCCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C23H40O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(2,3)4/h7-8,10-11,13-14H,5-6,9,12,15-21H2,1-4H3/b8-7-,11-10-,14-13-
InChIKeyKOVUNLOHHOEZSF-JPFHKJGASA-N
MW332.57 g/mol
LogP7.58
Rot. Bonds14

About (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one

(11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one (PubChem CID 155188256) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one.

Molecular Properties

Compound Name(11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one
PubChem CID155188256
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name(11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one
SMILESCCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C23H40O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(2,3)4/h7-8,10-11,13-14H,5-6,9,12,15-21H2,1-4H3/b8-7-,11-10-,14-13-
InChIKeyKOVUNLOHHOEZSF-JPFHKJGASA-N
XLogP7.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one with MolForge

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

Launch Full Analysis

Related Compounds

(11Z,14Z)-octadeca-11,14-dienoic acid
CID 5312450
henicosa-11,14,17-trienoic acid
CID 169277280
(8Z,11Z)-pentadeca-8,11-dien-2-one
CID 25172308
(9Z)-hexadeca-9,12-dienoic acid
CID 87441116
(8E,11E,14E)-octadeca-8,11,14-trienoic acid
CID 6507258
(10Z,13Z,16Z)-icosa-10,13,16-trien-2-one
CID 59917255
(5Z,13Z,16Z)-icosa-5,13,16-trienoic acid
CID 52921834
methyl hexadeca-9,12-dienoate
CID 549033
methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate
CID 102177602
hexacosa-17,20-dien-9-one
CID 163047379
(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one?
The IUPAC name of (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one (CID 155188256) is (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one.
What is the SMILES notation for (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one?
The canonical SMILES for (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one is CCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)C(C)(C)C.
What is the InChIKey of (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one?
The InChIKey is KOVUNLOHHOEZSF-JPFHKJGASA-N. The full InChI is InChI=1S/C23H40O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(2,3)4/h7-8,10-11,13-14H,5-6,9,12,15-21H2,1-4H3/b8-7-,11-10-,14-13-.
What are the key properties of (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one?
(11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one has a molecular weight of 332.57 g/mol, XLogP of 7.58, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z,17Z)-2,2-dimethylhenicosa-11,14,17-trien-3-one is sourced from PubChem (CID 155188256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).