Acetic acid, dihydroxy-, (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester
Basic information
- CAS
108794-12-3- Standard SMILES
C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=O)C(O)O)C1- InChIKey
ARNALRSJBJGILK-BPLDGKMQSA-N- Molecular formula
- C18H26O4
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.18310931
Names & identifiers
- Preferred name
- Acetic acid, dihydroxy-, (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester
- IUPAC
- [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2,2-dihydroxyacetate
Names & synonyms
Acetic acid, dihydroxy-, (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester108794-12-3RefChem:316612DTXSID301124759(1R,2S,5R)-5-Methyl-2-(2-phenylpropan-2-yl)cyclohexyl dihydroxyacetate
Database identifiers
- CAS
108794-12-3- PubChem CID
- 13639248
- DTXSID
DTXSID301124759- Nikkaji
- J329.310F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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