Basic information
- CAS
24442-68-0- Standard SMILES
CC1CC(OC=O)CC(C)(C)C1- InChIKey
MTZUWXFUKUHVMV-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Cyclohexanol, 3,3,5-trimethyl-, 1-formate
- IUPAC
- (3,3,5-trimethylcyclohexyl) formate
Names & synonyms
24442-68-0Cyclohexanol, 3,3,5-trimethyl-, 1-formateCyclohexanol, 3,3,5-trimethyl-, formateEINECS 246-250-6DTXSID70885265RefChem:129627DTXCID8010246553,3,5-Trimethylcyclohexyl formateSCHEMBL272820SCHEMBL11240381MTZUWXFUKUHVMV-UHFFFAOYSA-NNS00049839
Database identifiers
- CAS
24442-68-0- PubChem CID
- 91182
- DTXSID
DTXSID70885265- EC Number
- 246-250-6
- Nikkaji
- J287.248J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 3,3,5-trimethyl-, 1-formate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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