Basic information
- CAS
1567-73-3- Standard SMILES
C/C=C(\C)C(C)=O- InChIKey
ZAMCMCQRTZKGDX-SNAWJCMRSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 3-Methyl-3-penten-2-one, (3E)-
- IUPAC
- (E)-3-methylpent-3-en-2-one
Names & synonyms
1567-73-3(E)-3-methyl-3-penten-2-oneJBR4O01DB23-Methyl-3-penten-2-one, (3E)-3-Penten-2-one, 3-methyl-, (E)-3-Penten-2-one, 3-methyl-, (3E)-DTXSID601045928RefChem:1068232DTXCID2021490(E)-3-methylpent-3-en-2-one(3E)-3-METHYLPENT-3-EN-2-ONEMFCD00151839
Show more names
3-Methyl-2-penten-4-one2-Acetyl-2-buteneUNII-JBR4O01DB2SCHEMBL3801203-Methyl-3-penten-2-one #CHEMBL3184903SCHEMBL10587665CH3CH=C(CH3)C(=O)CH3
Database identifiers
- CAS
1567-73-3- PubChem CID
- 5364579
- DTXSID
DTXSID601045928- ChEMBL
CHEMBL3184903- UNII
- JBR4O01DB2
- Nikkaji
- J24.198I、J675.155E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 101
Related reactions
1 records
Compound notes
Loading…