Basic information
- CAS
4058-55-3- Standard SMILES
C=C=CC(C=O)(CC)CCCC- InChIKey
UPPBIKQICNRUKQ-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 2-Ethyl-2-propadienylhexanal
- IUPAC
- 2-ethyl-2-propa-1,2-dienylhexanal
Names & synonyms
4058-55-32-Ethyl-2-propadienylhexanalNSC231568SCHEMBL27514257DTXSID20310754NSC-231568
Database identifiers
- CAS
4058-55-3- PubChem CID
- 314280
- DTXSID
DTXSID20310754
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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