Basic information
- CAS
5451-57-0- Standard SMILES
CC(C)C(=O)OC1CCC(C(C)(C)C)CC1- InChIKey
RMCOAKZBTKDTCI-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Names & identifiers
- Preferred name
- 4-tert-Butylcyclohexyl isobutyrate
- IUPAC
- (4-tert-butylcyclohexyl) 2-methylpropanoate
- English name
- 4-tert-butylcyclohexyl isobutyrate
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35504
Names & synonyms
4-tert-Butylcyclohexyl isobutyrate5451-57-04-tert-butylcyclohexyl 2-methylpropanoateNSC21833EINECS 226-683-7SCHEMBL1628101DTXSID80202924RMCOAKZBTKDTCI-UHFFFAOYSA-NNSC 21833NSC-21833NS000331062-Methylpropionic acid 4-tert-butylcyclohexyl ester
Show more names
Propanoic acid, 2-methyl-, 4-(1,1-dimethylethyl)cyclohexyl ester
Database identifiers
- CAS
5451-57-0- PubChem CID
- 79542
- DTXSID
DTXSID80202924- EC Number
- 226-683-7
- Nikkaji
- J210.498I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- LogP
- 4.921 · 4.921 (est)
Chemistry & industry
Suppliers1 total
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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