Basic information
- CAS
143096-21-3- Standard SMILES
CCC1(CC)CCC(=O)OC1=O- InChIKey
GBRQDTCDGAOVHB-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- 3,3-Diethyloxane-2,6-dione
- IUPAC
- 3,3-diethyloxane-2,6-dione
Names & synonyms
3,3-Diethyloxane-2,6-dione143096-21-3SCHEMBL677243DTXSID50617703GBRQDTCDGAOVHB-UHFFFAOYSA-N2,2-diethylglutaric acid anhydride
Database identifiers
- CAS
143096-21-3- PubChem CID
- 21751431
- DTXSID
DTXSID50617703
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 204
Related reactions
2 records
Compound notes
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