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'}

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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).