1,3-Propanediol, 2,2-dimethyl-, diformate
Basic information
- CAS
5451-58-1- Standard SMILES
CC(C)(COC=O)COC=O- InChIKey
KDZSXEAXMYXVCU-UHFFFAOYSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.07355886
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2,2-dimethyl-, diformate
- IUPAC
- (3-formyloxy-2,2-dimethylpropyl) formate
Names & synonyms
5451-58-11,3-Propanediol, 2,2-dimethyl-, diformateNSC21835SCHEMBL13221370DTXSID10969715NSC-218352,2-Dimethylpropane-1,3-diyl diformate
Database identifiers
- CAS
5451-58-1- PubChem CID
- 228728
- DTXSID
DTXSID10969715
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…