3-Ethoxyacrolein diethyl acetal
Basic information
- CAS
5444-80-4- Standard SMILES
CCOC=CC(OCC)OCC- InChIKey
ATAQLIDYIFWHFW-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Names & identifiers
- Preferred name
- 3-Ethoxyacrolein diethyl acetal
- IUPAC
- 1,3,3-triethoxyprop-1-ene
Names & synonyms
3-ethoxyacrolein diethyl acetalSCHEMBL5413869ATAQLIDYIFWHFW-UHFFFAOYSA-NDTXSID901031643
Database identifiers
- CAS
5444-80-4- PubChem CID
- 21587
- DTXSID
DTXSID901031643
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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