2-Cyclopenten-1-one, 3-ethyl-
Basic information
- CAS
5682-69-9- Standard SMILES
CCC1=CC(=O)CC1- InChIKey
XHAHAEVXYYITIQ-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 3-ethyl-
- IUPAC
- 3-ethylcyclopent-2-en-1-one
- English name
- 3-ethylcyclopent-2-en-1-one
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
5682-69-92-Cyclopenten-1-one, 3-ethyl-3-Ethyl-2-cyclopenten-1-one32H451QJ7CUNII-32H451QJ7CDTXSID50205366RefChem:86643DTXCID50127857XHAHAEVXYYITIQ-UHFFFAOYSA-N3-ethylcyclopent-2-en-1-one3-Ethylcyclopent-2-enoneSCHEMBL1020674
Show more names
3-ethyl-cyclopent-2-enone
3-Ethyl-2-cyclopenten-1-one #MFCD21129688AKOS014508089AS-83176E77707
Database identifiers
- CAS
5682-69-9- PubChem CID
- 557256
- DTXSID
DTXSID50205366- UNII
- 32H451QJ7C
- Nikkaji
- J2.083.330K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 35 °C · 35 °C(Press: 0.05 Torr)
- Density
- 0.965 · 0.965±0.06 g/cm3(Predicted)
- LogP
- 1.069 · 1.069 (est)
- FDA UNII
- 32 H451QJ7C · 32H451QJ7C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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