Basic information
- CAS
4166-61-4- Standard SMILES
C=CCC1C=CC(=O)CC1- InChIKey
NXCVYYZJFBZNPQ-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- 4-(2-Propenyl)-2-cyclohexen-1-one
- IUPAC
- 4-prop-2-enylcyclohex-2-en-1-one
- English name
- 4-(2-Propenyl)-2-cyclohexen-1-one
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
4-(2-PROPENYL)-2-CYCLOHEXEN-1-ONE4166-61-4DTXSID10449502RefChem:287427DTXCID404003234-prop-2-enylcyclohex-2-en-1-one4-allyl-2-cyclohexen-1-one4-Allyl-2-cyclohexenone4-(prop-2-en-1-yl)cyclohex-2-en-1-one4-Allylcyclohex-2-enone4-allylcyclohex-2-en-1-one4-allyl-cyclohex-2-en-1-one
Show more names
2-Cyclohexen-1-one, 4-(2-propen-1-yl)-
SCHEMBL3222910NXCVYYZJFBZNPQ-UHFFFAOYSA-N4-(2-propenyl)cyclohex-2-en-1-oneAKOS006278390(+/-)-4-(2-propenyl)-2-cyclohexen-1-one(+/-)-4-(2-propenyl)-2-cyclohexen-l-one
Database identifiers
- CAS
4166-61-4- PubChem CID
- 10953571
- DTXSID
DTXSID10449502
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 80 °C · 80 °C(Press: 1 Torr)
- Density
- 0.936 · 0.936±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses4-Allyl-2-cyclohexenone is an intermediate in the preparation of CB1 and CB2 receptor agonists such as CP-55,940 (C781410).
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
10 records
Compound notes
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