Basic information
- CAS
53907-61-2- Standard SMILES
CC(C=O)=CC(C)(C)C- InChIKey
ANXYYWCILNEABR-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- 2-Pentenal, 2,4,4-trimethyl-
- IUPAC
- 2,4,4-trimethylpent-2-enal
Names & synonyms
53907-61-22,4,4-TRIMETHYL-2-PENTENAL2-Pentenal, 2,4,4-trimethyl-SCHEMBL7945295DTXSID701376798AKOS017876260DB-302298
Database identifiers
- CAS
53907-61-2- PubChem CID
- 40922
- DTXSID
DTXSID701376798
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 126
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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