Basic information
- CAS
72845-35-3- Standard SMILES
CC/C(C)=C/CC[C@H](C)C=O- InChIKey
RMPKHUJAYKUKPH-ZKXNXJMVSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
See also: 5-Octenal, 2,6-dimethyl- (annotation moved to).
Names & identifiers
- Preferred name
- (E,2S)-2,6-dimethyloct-5-enal
- IUPAC
- (E,2S)-2,6-dimethyloct-5-enal
Names & synonyms
72845-35-3
Database identifiers
- CAS
72845-35-3- PubChem CID
- 6450436
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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