Basic information
- CAS
5362-50-5- Standard SMILES
CC(C)=CCC=O- InChIKey
PQTHXJVFTDWEEE-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 4-Methyl-3-pentenal
- IUPAC
- 4-methylpent-3-enal
- English name
- 4-Methyl-3-pentene-1-one
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
4-METHYL-3-PENTENAL5362-50-5Pyroterebaldehyde3-Pentenal, 4-methyl-DTXSID30201861RefChem:99781DTXCID60124352PQTHXJVFTDWEEE-UHFFFAOYSA-N4-methylpent-3-enalSCHEMBL820040SCHEMBL8200413-methyl-2-butene carboxaldehyde
Show more names
4-Methyl-3-penten-1-al4-Methyl-3-pentene-1-one
CHEBI:229262DA-16681
Database identifiers
- CAS
5362-50-5- PubChem CID
- 21457
- DTXSID
DTXSID30201861- ChEBI
CHEBI:229262- Nikkaji
- J100.690H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 78
Physicochemical properties
- Melting point
- -78 °C · -78°C (estimate)
- Boiling point
- 133.68 °C · 133.68°C (estimate)
- Density
- 0.8483 · 0.8483 (estimate)
- refractive index
- 1.4276 · 1.4276 (estimate)
Chemistry & industry
Suppliers1 total
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
1 records
Compound notes
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