1-Oxaspiro(4.5)dec-3-en-2-one, 3-methyl-4-(2,4,5-trimethylbenzoyl)-
Basic information
- CAS
86560-13-6- Standard SMILES
CC1=C(C(=O)c2cc(C)c(C)cc2C)C2(CCCCC2)OC1=O- InChIKey
ILOZMPPYGLSFMQ-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Names & identifiers
- Preferred name
- 1-Oxaspiro(4.5)dec-3-en-2-one, 3-methyl-4-(2,4,5-trimethylbenzoyl)-
- IUPAC
- 3-methyl-4-(2,4,5-trimethylbenzoyl)-1-oxaspiro[4.5]dec-3-en-2-one
Names & synonyms
BRN 51012011-Oxaspiro(4.5)dec-3-en-2-one, 3-methyl-4-(2,4,5-trimethylbenzoyl)-86560-13-63-Methyl-4-(2,4,5-trimethylbenzoyl)-1-oxaspiro(4.5)dec-3-en-2-one2,4,5-Trimethylbenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]DTXSID102356692,4,5-Trimethylbenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-43-Methyl-4-(2,4,5-trimethylbenzoyl)-1-oxaspiro[4.5]dec-3-en-2-oneRefChem:232763DTXCID90158160
Database identifiers
- CAS
86560-13-6- PubChem CID
- 3070528
- DTXSID
DTXSID10235669
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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