Basic information
- CAS
56915-02-7- Standard SMILES
CC=CC(=O)C1=C(C)CC(O)CC1(C)C- InChIKey
UPRXEFYRIACHQZ-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Overview
1-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one has been reported in Nicotiana tabacum and Ocimum basilicum with data available.
Names & identifiers
- Preferred name
- 1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
- IUPAC
- 1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
Names & synonyms
56915-02-71-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one3-HydroxydamasconeSCHEMBL11788411DTXSID3013159781-(4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-EN-1-ONEDB-290750NS00054380
Database identifiers
- CAS
56915-02-7- PubChem CID
- 92564
- DTXSID
DTXSID301315978- EC Number
- 260-430-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…