Basic information
- CAS
73215-93-7- Standard SMILES
C=C1[C@H]2C[C@H]2[C@]2(C)CC(=O)CC[C@@H]12- InChIKey
DURAKCDNOJBTJI-WRWGMCAJSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- (1aR,1bS,5aS,6aS)-Octahydro-1b-methyl-6-methylenecycloprop(a)inden-3(1H)-one
- IUPAC
- (1aR,1bS,5aS,6aS)-1b-methyl-6-methylidene-1a,2,4,5,5a,6a-hexahydro-1H-cyclopropa[a]inden-3-one
Names & synonyms
(1aR,1bS,5aS,6aS)-Octahydro-1b-methyl-6-methylenecycloprop[a]inden-3(1H)-one73215-93-7(1aR,1bS,5aS,6aS)-Octahydro-1b-methyl-6-methylenecycloprop(a)inden-3(1H)-oneRefChem:204777DTXSID401142089(1aR,1bS,5aS,6aS)-1b-Methyl-6-methylideneoctahydrocyclopropa[a]inden-3(1H)-one
Database identifiers
- CAS
73215-93-7- PubChem CID
- 56590307
- DTXSID
DTXSID401142089- Nikkaji
- J3.344.319F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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