Basic information
- CAS
63834-77-5- Standard SMILES
CCC(CC)(COC(C)=O)COC(C)=O- InChIKey
QERZBQVBUHVAFS-UHFFFAOYSA-N- Molecular formula
- C11H20O4
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.13615911
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2,2-diethyl-, diacetate
- IUPAC
- [2-(acetyloxymethyl)-2-ethylbutyl] acetate
Names & synonyms
1,3-Propanediol, 2,2-diethyl-, diacetate63834-77-5DTXSID10213285RefChem:1053000DTXCID10135776MC 25792,2-Diethyl-1,3-propanediol diacetateBRN 17791912-[(acetyloxy)methyl]-2-ethylbutyl acetate3-02-00-00322 (Beilstein Handbook Reference)1, 2,2-diethyl-, diacetateSCHEMBL16546891
Show more names
NSC68521NSC 68521NSC-68521
Database identifiers
- CAS
63834-77-5- PubChem CID
- 96341
- DTXSID
DTXSID10213285- Nikkaji
- J90.894K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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