3-Isopropoxycyclohex-2-en-1-one
Basic information
- CAS
58529-72-9- Standard SMILES
CC(C)OC1=CC(=O)CCC1- InChIKey
IISFUJKHMFGYOU-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 3-Isopropoxycyclohex-2-en-1-one
- IUPAC
- 3-propan-2-yloxycyclohex-2-en-1-one
- English name
- 3-isopropoxycyclohex-2-en-1-one
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
3-Isopropoxycyclohex-2-en-1-one58529-72-93-propan-2-yloxycyclohex-2-en-1-one3-isopropoxy-2-cyclohexenoneEINECS 261-310-17D6Y9E76SGSCHEMBL8101389DTXSID902072433-(1-Methylethoxy)-2-cyclohexen-1-one2-Cyclohexen-1-one, 3-(1-methylethoxy)-3-[(Propan-2-yl)oxy]cyclohex-2-en-1-oneNS00033946
Show more names
3-Isopropoxy-2-cyclohexene-1-one3-(Isopropyloxy)-2-cyclohexen-1-one
Database identifiers
- CAS
58529-72-9- PubChem CID
- 94095
- DTXSID
DTXSID90207243- UNII
- 7D6Y9E76SG
- EC Number
- 261-310-1
- Nikkaji
- J296.967J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- FDA UNII
- 7 D6Y9E76SG · 7D6Y9E76SG
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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