Basic information
- CAS
72117-72-7- Standard SMILES
CCC(=O)C(C)=CC1C(C)=CCCC1(C)C- InChIKey
UNAJREJGSQDJGU-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Overview
See also: Dimethylionone (annotation moved to).
Names & identifiers
- Preferred name
- 1-Penten-3-one, 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
- IUPAC
- 2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Names & synonyms
1-Penten-3-one, 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-SCHEMBL2857545DTXSID90888071UNAJREJGSQDJGU-UHFFFAOYSA-N2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Database identifiers
- CAS
72117-72-7- PubChem CID
- 166222
- DTXSID
DTXSID90888071
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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