4,7,7-Trimethyl-2-(3-methylbut-2-EN-1-YL)bicyclo[4.1.0]heptan-3-one

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Basic information

CAS: 74499-58-4
Standard SMILES: CC(C)=CCC1C(=O)C(C)CC2C1C2(C)C
InChIKey: HCRHVSPDKOSFIT-UHFFFAOYSA-N
Molecular formula: C15H24O
Average molar mass: 220.35 g/mol
Monoisotopic mass: 220.18271539

Names & identifiers

Preferred name: 4,7,7-Trimethyl-2-(3-methylbut-2-EN-1-YL)bicyclo[4.1.0]heptan-3-one
IUPAC: 4,7,7-trimethyl-2-(3-methylbut-2-enyl)bicyclo[4.1.0]heptan-3-one

Names & synonyms

SCHEMBL4443521HCRHVSPDKOSFIT-UHFFFAOYSA-N4,7,7-trimethyl-2-(3-methylbut-2-enyl)bicyclo[4.1.0]heptan-3-one4,7,7-TRIMETHYL-2-(3-METHYLBUT-2-EN-1-YL)BICYCLO[4.1.0]HEPTAN-3-ONENS00013290

Database identifiers

CAS: 74499-58-4
PubChem CID: 173288
DTXSID: DTXSID70868311
Nikkaji: J349.410A

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 333

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Compound notes

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