Basic information
- CAS
1196-22-1- Standard SMILES
CC(=O)OC1=C(C)CCC1=O- InChIKey
NNYIMCWMHNKLNZ-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- 2-Methyl-6-oxocyclopent-1-enyl acetate
- IUPAC
- (2-methyl-5-oxocyclopenten-1-yl) acetate
- English name
- 2-methyl-6-oxocyclopent-1-enyl acetate
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
1196-22-12-Methyl-6-oxocyclopent-1-enyl acetateCyclotene acetate2-methyl-5-oxocyclopent-1-en-1-yl acetate2-Cyclopenten-1-one,2-(acetyloxy)-3-methyl-EINECS 214-809-3NSC109960SCHEMBL10861612DTXSID20152515NNYIMCWMHNKLNZ-UHFFFAOYSA-NAKOS006303599NSC 109960
Show more names
2-Acetyloxy-3-methyl-2-cyclopenten-1-one2-(Acetyloxy)-3-methyl-2-cyclopenten-1-one2-Cyclopenten-1-one, 2-(acetyloxy)-3-methyl-
NSC-109960DS-000555NS000238682-ACETOXY-3-METHYL-2-CYCLOPENTEN-1-ONEQ63398059
Database identifiers
- CAS
1196-22-1- PubChem CID
- 70960
- DTXSID
DTXSID20152515- EC Number
- 214-809-3
- Nikkaji
- J203.468I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 75 °C · 75 °C(Press: 0.075 Torr)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- LogP
- 0.11 · 0.110 (est)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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