3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene
Basic information
- CAS
111869-26-2- Standard SMILES
CC1(C)C=C2CCC2=C1- InChIKey
LCUWWPJEBQOEQH-UHFFFAOYSA-N- Molecular formula
- C9H12
- Average molar mass
- 120.19 g/mol
- Monoisotopic mass
- 120.09390038
Names & identifiers
- Preferred name
- 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene
- IUPAC
- 3,3-dimethylbicyclo[3.2.0]hepta-1,4-diene
- English name
- 3,3-dimethylbicyclo[3.2.0]hepta-1,4-diene
- Molecular formula
- C9H12
- Molecular weight
- 120.19
Names & synonyms
3,3-dimethylbicyclo[3.2.0]hepta-1,4-diene111869-26-23,3-Dimethylbicylo(3.2.0)hepta-1,4-diene3,3-Dimethylbicylo[3.2.0]hepta-1,4-dieneDTXSID30149754Bicyclo[3.2.0]hepta-1,4-diene, 3,3-dimethyl-
Database identifiers
- CAS
111869-26-2- PubChem CID
- 145476
- DTXSID
DTXSID30149754- Nikkaji
- J2.465.103G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 182
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Compound notes
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