6-Methyl-1-(4-methylpent-3-en-1-yl)-7-oxabicyclo[4.1.0]heptan-2-one
Basic information
- CAS
64810-28-2- Standard SMILES
CC(C)=CCCC12OC1(C)CCCC2=O- InChIKey
YBEFEKDDLKAIAS-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 6-Methyl-1-(4-methylpent-3-en-1-yl)-7-oxabicyclo[4.1.0]heptan-2-one
- IUPAC
- 6-methyl-1-(4-methylpent-3-enyl)-7-oxabicyclo[4.1.0]heptan-2-one
Names & synonyms
64810-28-2DTXSID204988896-Methyl-1-(4-methylpent-3-en-1-yl)-7-oxabicyclo[4.1.0]heptan-2-one
Database identifiers
- CAS
64810-28-2- PubChem CID
- 12453054
- DTXSID
DTXSID20498889
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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