Basic information
- CAS
63007-28-3- Standard SMILES
CCC=CC(C=O)(CC)Cc1ccccc1- InChIKey
XSPPJSHOBSWMEE-UHFFFAOYSA-N- Molecular formula
- C15H20O
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.15141526
Names & identifiers
- Preferred name
- 2-Benzyl-2-ethyl-hex-3-enal
- IUPAC
- 2-benzyl-2-ethylhex-3-enal
Names & synonyms
2-benzyl-2-ethylhex-3-enal2-benzyl-2-ethyl-hex-3-enalSCHEMBL11442459DTXSID501285408DB-312811NS00056808I+/--1-Buten-1-yl-I+/--ethylbenzenepropanal
Database identifiers
- CAS
63007-28-3- PubChem CID
- 3017375
- DTXSID
DTXSID501285408
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Related reactions
1 records
Compound notes
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