Basic information
- Standard SMILES
C[C@H](CC=O)COCc1ccccc1- InChIKey
NCJNVNMUNXTXRP-LLVKDONJSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
Names & identifiers
- Preferred name
- (R)-4-Benzyloxy-3-methylbutanal
- IUPAC
- (3R)-3-methyl-4-phenylmethoxybutanal
Names & synonyms
(R)-4-Benzyloxy-3-methylbutanal[3R]-4-Benzyloxy-3-methylbutanalSCHEMBL7334524NCJNVNMUNXTXRP-LLVKDONJSA-N
Database identifiers
- PubChem CID
- 11116875
- Nikkaji
- J1.288.724H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 150
Related reactions
2 records
Compound notes
Loading…