Basic information
- CAS
758-87-2- Standard SMILES
C=CC(C)C(C)=O- InChIKey
QSFGGYJTGKYFML-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 3-Methylpent-4-en-2-one
- IUPAC
- 3-methylpent-4-en-2-one
- English name
- 3-Methyl-4-penten-2-one
- Molecular weight
- 0
Names & synonyms
3-methylpent-4-en-2-one758-87-2DTXSID50997193RefChem:1068325DTXCID8014242013-METHYL-4-PENTEN-2-ONE4-Penten-2-one, 3-methyl-4-Penten-2-on3, 3-methyl-3-Methyl-4-penten-2-one #SCHEMBL3787125SCHEMBL5797853SCHEMBL17581067
Show more names
SCHEMBL27920650QSFGGYJTGKYFML-UHFFFAOYSA-N
Database identifiers
- CAS
758-87-2- PubChem CID
- 12964
- DTXSID
DTXSID50997193- Nikkaji
- J129.201C
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
- 84.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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