2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one

C17H26O — CID 169179056

IUPAC2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one
SMILESCCCC=CCC1C(C2=C(C)CCC2=O)C1(C)C
InChIInChI=1S/C17H26O/c1-5-6-7-8-9-13-16(17(13,3)4)15-12(2)10-11-14(15)18/h7-8,13,16H,5-6,9-11H2,1-4H3
InChIKeyYAQQRPREAQIQMI-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.68
Rot. Bonds5

About 2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one

2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one (PubChem CID 169179056) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one
PubChem CID169179056
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one
SMILESCCCC=CCC1C(C2=C(C)CCC2=O)C1(C)C
InChIInChI=1S/C17H26O/c1-5-6-7-8-9-13-16(17(13,3)4)15-12(2)10-11-14(15)18/h7-8,13,16H,5-6,9-11H2,1-4H3
InChIKeyYAQQRPREAQIQMI-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.68
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-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one (CID 169179056) is 2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one is CCCC=CCC1C(C2=C(C)CCC2=O)C1(C)C.
What is the InChIKey of 2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one?
The InChIKey is YAQQRPREAQIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-5-6-7-8-9-13-16(17(13,3)4)15-12(2)10-11-14(15)18/h7-8,13,16H,5-6,9-11H2,1-4H3.
What are the key properties of 2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one?
2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one has a molecular weight of 246.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 169179056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).