2-Isopropyl-3-methyl-2-cyclopentenone
Basic information
- CAS
31089-24-4- Standard SMILES
CC1=C(C(C)C)C(=O)CC1- InChIKey
MZTOBWCRJYWMLL-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 2-Isopropyl-3-methyl-2-cyclopentenone
- IUPAC
- 3-methyl-2-propan-2-ylcyclopent-2-en-1-one
- English name
- 2-isopropyl-3-methylcyclopent-2-en-1-one
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
31089-24-42-Cyclopenten-1-one, 3-methyl-2-(1-methylethyl)-3-Methyl-2-isopropyl-2-cyclopenten-1-oneEINECS 250-458-2A69K8OA38Q2-Isopropyl-3-methyl-2-cyclopentenoneDTXSID10675943-Methyl-2-(1-methylethyl)-2-cyclopenten-1-oneRefChem:473884DTXCID10382982-Isopropyl-3-methylcyclopent-2-en-1-one3-methyl-2-propan-2-ylcyclopent-2-en-1-one
Show more names
UNII-A69K8OA38Q3-Methyl-2-(propan-2-yl)cyclopent-2-en-1-oneSCHEMBL7237677SCHEMBL11910532MZTOBWCRJYWMLL-UHFFFAOYSA-NNS00029020
Database identifiers
- CAS
31089-24-4- PubChem CID
- 169253
- DTXSID
DTXSID1067594- UNII
- A69K8OA38Q
- EC Number
- 250-458-2
- Nikkaji
- J287.441E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- FDA UNII
- 69 K8OA38Q · A69K8OA38Q
- EPA Substance Registry System
- 2 · 2-Cyclopenten-1-one, 3-methyl-2-(1-methylethyl)- (31089-24-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Cyclopenten-1-one, 3-methyl-2-(1-methylethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…