16,16-Dimethyl-1-oxacyclohexadecane-2,13-dione
Basic information
- CAS
61533-71-9- Standard SMILES
CC1(C)CCC(=O)CCCCCCCCCCC(=O)O1- InChIKey
KMJBAGYDKIJHIA-UHFFFAOYSA-N- Molecular formula
- C17H30O3
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.21949481
Names & identifiers
- Preferred name
- 16,16-Dimethyl-1-oxacyclohexadecane-2,13-dione
- IUPAC
- 16,16-dimethyl-oxacyclohexadecane-2,13-dione
Names & synonyms
61533-71-916,16-DIMETHYL-1-OXACYCLOHEXADECANE-2,13-DIONEDTXSID40816541
Database identifiers
- CAS
61533-71-9- PubChem CID
- 71394875
- DTXSID
DTXSID40816541
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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