1-Oxaspiro(4.5)dec-3-en-2-one, 4-(3,5-dimethyl-4-hydroxybenzoyl)-3-methyl-
Basic information
- CAS
86560-14-7- Standard SMILES
CC1=C(C(=O)c2cc(C)c(O)c(C)c2)C2(CCCCC2)OC1=O- InChIKey
XJJCTCZLMUECEU-UHFFFAOYSA-N- Molecular formula
- C19H22O4
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.15180918
Names & identifiers
- Preferred name
- 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(3,5-dimethyl-4-hydroxybenzoyl)-3-methyl-
- IUPAC
- 4-(4-hydroxy-3,5-dimethylbenzoyl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Names & synonyms
BRN 51018801-Oxaspiro(4.5)dec-3-en-2-one, 4-(3,5-dimethyl-4-hydroxybenzoyl)-3-methyl-86560-14-74-(3,5-Dimethyl-4-hydroxybenzoyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-one3,5-Dimethyl-4-hydroxybenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]DTXSID202356703,5-Dimethyl-4-hydroxybenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4RefChem:232770DTXCID501581614-(4-Hydroxy-3,5-dimethylbenzoyl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Database identifiers
- CAS
86560-14-7- PubChem CID
- 3070529
- DTXSID
DTXSID20235670
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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