4-tert-Butylcyclohexanone diethyl acetal
Basic information
- CAS
1900-58-9- Standard SMILES
CCOC1(OCC)CCC(C(C)(C)C)CC1- InChIKey
QTSXNUWFLGKEKB-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- 4-tert-Butylcyclohexanone diethyl acetal
- IUPAC
- 4-tert-butyl-1,1-diethoxycyclohexane
- English name
- 4-tert-Butylcyclohexanone diethyl acetal
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
1900-58-94-tert-Butylcyclohexanone diethyl acetal4-tert-Butyl-1,1-diethoxycyclohexane4-t-Butylcyclohexanone diethyl ketalMFCD00043564Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy-Cyclohexane, 4-(1,1-dimethylethyl)-1,1-diethoxy-4-(tert-butyl)-1,1-diethoxycyclohexaneDTXSID70172465QTSXNUWFLGKEKB-UHFFFAOYSA-NSBB008037AKOS015838854
Show more names
TIMTEC-BB SBB008037
4-tert-butyl-1,1-diethoxy-cyclohexane4-tert-Butyl-1,1-diethoxycyclohexane #DB-080762ST50828111F341919
Database identifiers
- CAS
1900-58-9- PubChem CID
- 137253
- DTXSID
DTXSID70172465
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 267.5 · 267.5±13.0 °C(Predicted)
- Density
- 0.89 · 0.89±0.1 g/cm3(Predicted)
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Compound notes
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