Basic information
- CAS
75203-87-1- Standard SMILES
CC1=C(CCO)C(C)(C)CCC1=O- InChIKey
MWFUEIYHWVEVKX-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 3-(2-hydroxyethyl)-2,4,4-trimethyl-
- IUPAC
- 3-(2-hydroxyethyl)-2,4,4-trimethylcyclohex-2-en-1-one
Names & synonyms
75203-87-12-Cyclohexen-1-one, 3-(2-hydroxyethyl)-2,4,4-trimethyl-DTXSID30457907RefChem:259794DTXCID204087263-(2-hydroxyethyl)-2,4,4-trimethylcyclohex-2-en-1-oneSCHEMBL11152583
Database identifiers
- CAS
75203-87-1- PubChem CID
- 11183003
- DTXSID
DTXSID30457907
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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