Basic information
- CAS
84604-57-9- Standard SMILES
CC(C)CC(=O)C1=CCCCC1- InChIKey
PSCQQXOOHCMUTM-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 1-(1-Cyclohexen-1-yl)-3-methylbutan-1-one
- IUPAC
- 1-(cyclohexen-1-yl)-3-methylbutan-1-one
- English name
- 1-(1-cyclohexen-1-yl)-3-methylbutan-1-one
- Molecular formula
- C11H18O
- Molecular weight
- 166.26
Names & synonyms
84604-57-91-(1-Cyclohexen-1-yl)-3-methylbutan-1-one1-(cyclohexen-1-yl)-3-methylbutan-1-oneEINECS 283-338-31-(cyclohex-1-en-1-yl)-3-methylbutan-1-oneDTXSID90233587PSCQQXOOHCMUTM-UHFFFAOYSA-NAKOS011357356NS000385711-Cyclohex-1-enyl-3-methyl-butan-1-one1-(1-Cyclohexen-1-yl)-3-methyl-1-butanone1-Butanone, 1-(1-cyclohexen-1-yl)-3-methyl-
Database identifiers
- CAS
84604-57-9- PubChem CID
- 3019986
- DTXSID
DTXSID90233587- EC Number
- 283-338-3
- Nikkaji
- J333.507K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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