Dihydro-5-((4-(1-methylethyl)-1-cyclohexen-1-yl)methyl)furan-2(3H)-one
Basic information
- CAS
94201-08-8- Standard SMILES
CC(C)C1CC=C(CC2CCC(=O)O2)CC1- InChIKey
WBQWMDBLUQLXSV-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- Dihydro-5-((4-(1-methylethyl)-1-cyclohexen-1-yl)methyl)furan-2(3H)-one
- IUPAC
- 5-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolan-2-one
- English name
- dihydro-5-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan-2(3H)-one
- Molecular formula
- C14H22O2
- Molecular weight
- 222.32
Names & synonyms
94201-08-8EINECS 303-590-05-((4-Isopropylcyclohex-1-en-1-yl)methyl)dihydrofuran-2(3H)-oneDihydro-5-((4-(1-methylethyl)-1-cyclohexen-1-yl)methyl)furan-2(3H)-oneDTXSID10916148WBQWMDBLUQLXSV-UHFFFAOYSA-N5-{[4-(Propan-2-yl)cyclohex-1-en-1-yl]methyl}oxolan-2-oneNS000662075-[(4-propan-2-ylcyclohexen-1-yl)methyl]oxolan-2-onedihydro-5-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan-2(3H)-one2(3H)-Furanone, dihydro-5-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]-4,5-Dihydro-5-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]-2(3H)-furanone
Database identifiers
- CAS
94201-08-8- PubChem CID
- 3023978
- DTXSID
DTXSID10916148- EC Number
- 303-590-0
- Nikkaji
- J382.411J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 348.4 · 348.4±11.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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