(2S,3R)-3-methoxy-2,3,4-trimethylpentan-1-ol
Basic information
- CAS
1151815-23-4- Standard SMILES
CO[C@](C)(C(C)C)[C@@H](C)CO- InChIKey
ZWOZMDQHXZSOSS-DTWKUNHWSA-N- Molecular formula
- C9H20O2
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.14632988
Names & identifiers
- Preferred name
- (2S,3R)-3-methoxy-2,3,4-trimethylpentan-1-ol
- IUPAC
- (2S,3R)-3-methoxy-2,3,4-trimethylpentan-1-ol
Names & synonyms
(2S,3R)-3-methoxy-2,3,4-trimethylpentan-1-olDTXSID901256736(2S,3R)-3-Methoxy-2,3,4-trimethyl-1-pentanol1151815-23-4
Database identifiers
- CAS
1151815-23-4- PubChem CID
- 101474367
- DTXSID
DTXSID901256736- Nikkaji
- J2.733.741D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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