1,3-Cyclohexadiene, 5-(1,1-dimethylethyl)-
Basic information
- CAS
35776-65-9- Standard SMILES
CC(C)(C)C1C=CC=CC1- InChIKey
IRKKODBXEDEMMJ-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Names & identifiers
- Preferred name
- 1,3-Cyclohexadiene, 5-(1,1-dimethylethyl)-
- IUPAC
- 5-tert-butylcyclohexa-1,3-diene
Names & synonyms
1,3-Cyclohexadiene, 5-(1,1-dimethylethyl)-35776-65-9DTXSID60339444RefChem:218189DTXCID002905255-tert-butylcyclohexa-1,3-dienet-butyldihydrobenzeneSCHEMBL1071337SCHEMBL5739240IRKKODBXEDEMMJ-UHFFFAOYSA-N5-tert-Butyl-1,3-cyclohexadiene #
Database identifiers
- CAS
35776-65-9- PubChem CID
- 556263
- DTXSID
DTXSID60339444- Nikkaji
- J2.303.477H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
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Compound notes
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