1,3-Cyclohexadiene, 1,3,5,5,6,6-hexamethyl-
Basic information
- CAS
959004-89-8- Standard SMILES
CC1=CC(C)(C)C(C)(C)C(C)=C1- InChIKey
CIOJWLMRGFSYSW-UHFFFAOYSA-N- Molecular formula
- C12H20
- Average molar mass
- 164.29 g/mol
- Monoisotopic mass
- 164.15650064
Names & identifiers
- Preferred name
- 1,3-Cyclohexadiene, 1,3,5,5,6,6-hexamethyl-
- IUPAC
- 1,3,5,5,6,6-hexamethylcyclohexa-1,3-diene
Names & synonyms
1,3-Cyclohexadiene, 1,3,5,5,6,6-hexamethyl-CIOJWLMRGFSYSW-UHFFFAOYSA-NDTXSID5013672441,3,5,5,6,6-Hexamethyl-1,3-cyclohexadiene #959004-89-8
Database identifiers
- CAS
959004-89-8- PubChem CID
- 590945
- DTXSID
DTXSID501367244
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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