Basic information
- CAS
69502-99-4- Standard SMILES
CC(=O)OCC(OC(C)=O)C(=O)OC1CC(C)CCC1C(C)C- InChIKey
UTLHWAMQPOGISR-UHFFFAOYSA-N- Molecular formula
- C17H28O6
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.18858861
Names & identifiers
- Preferred name
- 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate
- IUPAC
- (5-methyl-2-propan-2-ylcyclohexyl) 2,3-diacetyloxypropanoate
- English name
- 2,3-Bis(acetyloxy)propanoic acid 5-methyl-2-isopropylcyclohexyl ester
- Molecular weight
- 0
Names & synonyms
2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate69502-99-4DTXSID60339747RefChem:262347DTXCID00290828UTLHWAMQPOGISR-UHFFFAOYSA-N5-methyl-2-(propan-2-yl)cyclohexyl 2,3-bis(acetyloxy)propanoatePropanoic acid, 2,3-bis(acetyloxy)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate #2,3-Bis(acetyloxy)propanoic acid 5-methyl-2-isopropylcyclohexyl ester
Database identifiers
- CAS
69502-99-4- PubChem CID
- 558248
- DTXSID
DTXSID60339747- Nikkaji
- J131.448C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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