Basic information
- CAS
37435-26-0- Standard SMILES
CC(C)(C)C1C(=O)CCCC1=O- InChIKey
HBFVJBNHZRPGBS-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 1,3-Cyclohexanedione, 2-(1,1-dimethylethyl)-
- IUPAC
- 2-tert-butylcyclohexane-1,3-dione
- English name
- 1,3-Cyclohexanedione, 2-(1,1-dimethylethyl)-
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
1,3-Cyclohexanedione, 2-(1,1-dimethylethyl)-37435-26-02-tert-butylcyclohexane-1,3-dione1,3-Cyclohexanedione,2-(1,1-dimethylethyl)-SCHEMBL25101184DTXSID90190883DB-278915
Database identifiers
- CAS
37435-26-0- PubChem CID
- 142159
- DTXSID
DTXSID90190883
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 16 °C · 16 °C
- Boiling point
- 267.2 · 267.2±23.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 5.72 · 5.72±0.25(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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