2,3,4,5-tetrapropylcyclopent-3-en-1-one

C17H30O — CID 12027231

IUPAC2,3,4,5-tetrapropylcyclopent-3-en-1-one
SMILESCCCC1=C(CCC)C(CCC)C(=O)C1CCC
InChIInChI=1S/C17H30O/c1-5-9-13-14(10-6-2)16(12-8-4)17(18)15(13)11-7-3/h15-16H,5-12H2,1-4H3
InChIKeyWZEZNAGWIXQECY-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.30
Rot. Bonds8

About 2,3,4,5-tetrapropylcyclopent-3-en-1-one

2,3,4,5-tetrapropylcyclopent-3-en-1-one (PubChem CID 12027231) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 2,3,4,5-tetrapropylcyclopent-3-en-1-one.

Molecular Properties

Compound Name2,3,4,5-tetrapropylcyclopent-3-en-1-one
PubChem CID12027231
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name2,3,4,5-tetrapropylcyclopent-3-en-1-one
SMILESCCCC1=C(CCC)C(CCC)C(=O)C1CCC
InChIInChI=1S/C17H30O/c1-5-9-13-14(10-6-2)16(12-8-4)17(18)15(13)11-7-3/h15-16H,5-12H2,1-4H3
InChIKeyWZEZNAGWIXQECY-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,4,5-tetrapropylcyclopent-3-en-1-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

DIHYDRO-beta-IONONE
CID 519382
Tetrahydro-pseudo-ionone
CID 102604
Nerone
CID 35785
8-Decene-3,5-dione, 4,6,9-trimethyl-
CID 114572
Calamusenone
CID 91748856
1-Propanone, 1-[6-methyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-
CID 109192
5-Cyclopentadecen-1-one, 3-methyl-
CID 54116156
Ethanone, 1-(4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl)-
CID 3016011
Preisocalamendiol
CID 12305706
1-Propanone, 1-[6-methyl-3-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-
CID 109191
1-(3,4-Dimethylcyclohex-3-en-1-yl)ethan-1-one
CID 11008116
Ethanone, 1-(2,3,4,5,6,7-hexahydro-1,1,3-trimethyl-1H-inden-5-yl)-
CID 21156150

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrapropylcyclopent-3-en-1-one?
The IUPAC name of 2,3,4,5-tetrapropylcyclopent-3-en-1-one (CID 12027231) is 2,3,4,5-tetrapropylcyclopent-3-en-1-one.
What is the SMILES notation for 2,3,4,5-tetrapropylcyclopent-3-en-1-one?
The canonical SMILES for 2,3,4,5-tetrapropylcyclopent-3-en-1-one is CCCC1=C(CCC)C(CCC)C(=O)C1CCC.
What is the InChIKey of 2,3,4,5-tetrapropylcyclopent-3-en-1-one?
The InChIKey is WZEZNAGWIXQECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-5-9-13-14(10-6-2)16(12-8-4)17(18)15(13)11-7-3/h15-16H,5-12H2,1-4H3.
What are the key properties of 2,3,4,5-tetrapropylcyclopent-3-en-1-one?
2,3,4,5-tetrapropylcyclopent-3-en-1-one has a molecular weight of 250.43 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrapropylcyclopent-3-en-1-one is sourced from PubChem (CID 12027231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).