Basic information
- CAS
86560-10-3- Standard SMILES
CC1=C(C(=O)c2ccc(Br)cc2)C2(CCCCC2)OC1=O- InChIKey
FAGGQHWQISDIGE-UHFFFAOYSA-N- Molecular formula
- C17H17BrO3
- Average molar mass
- 349.2 g/mol
- Monoisotopic mass
- 348.03611
Names & identifiers
- Preferred name
- 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(4-bromobenzoyl)-3-methyl-
- IUPAC
- 4-(4-bromobenzoyl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
- English name
- 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(4-bromobenzoyl)-3-methyl-
- Molecular formula
- C17H17BrO3
- Molecular weight
- 349.22
Names & synonyms
BRN 50908931-Oxaspiro(4.5)dec-3-en-2-one, 4-(4-bromobenzoyl)-3-methyl-86560-10-34-(4-Bromobenzoyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-one4-Bromobenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]DTXSID302356664-Bromobenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-44-(4-bromobenzoyl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-oneRefChem:232771DTXCID60158157
Database identifiers
- CAS
86560-10-3- PubChem CID
- 3070525
- DTXSID
DTXSID30235666
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…