2-Butyl-3-methylcyclohex-2-en-1-one
Basic information
- CAS
13679-29-3- Standard SMILES
CCCCC1=C(C)CCCC1=O- InChIKey
NKOZMRHTCLIXQI-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 2-Butyl-3-methylcyclohex-2-en-1-one
- IUPAC
- 2-butyl-3-methylcyclohex-2-en-1-one
Names & synonyms
2-Butyl-3-methylcyclohex-2-en-1-one13679-29-3DTXSID50496515RefChem:258024DTXCID50447325SCHEMBL27722532
Database identifiers
- CAS
13679-29-3- PubChem CID
- 12401736
- DTXSID
DTXSID50496515- Nikkaji
- J1.163.010C
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 201
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…