Basic information
- CAS
20690-70-4- Standard SMILES
C=C(CC)CC(=O)CC- InChIKey
AQEWUVMJFCNFIY-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- 5-Methylene-3-heptanone
- IUPAC
- 5-methylideneheptan-3-one
- English name
- 5-Methylene-3-heptanone
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
20690-70-45-Methylene-3-heptanone5-methylideneheptan-3-one3-Heptanone, 5-methylene-5-methyleneheptan-3-one5-Ethyl-5-hexen-3-one #SCHEMBL16212710DTXSID00337848AQEWUVMJFCNFIY-UHFFFAOYSA-NAKOS015387798
Database identifiers
- CAS
20690-70-4- PubChem CID
- 545104
- DTXSID
DTXSID00337848- Nikkaji
- J133.700I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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