1,1-Dibutoxyacetone
Basic information
- CAS
19255-82-4- Standard SMILES
CCCCOC(OCCCC)C(C)=O- InChIKey
HCSCGYDLFNSHLE-UHFFFAOYSA-N- Molecular formula
- C11H22O3
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.15689456
Names & identifiers
- Preferred name
- 1,1-Dibutoxyacetone
- IUPAC
- 1,1-dibutoxypropan-2-one
- English name
- 1,1-dibutoxyacetone
- Molecular formula
- C11H22O3
- Molecular weight
- 202.29
Names & synonyms
1,1-Dibutoxyacetone1,1-dibutoxypropan-2-one19255-82-41,1-dibutoxy-2-propanone2-Propanone, 1,1-dibutoxy-NSC-158339EINECS 242-921-2NSC1583391,1-Dibutoxyacetone #N7H8EWY8EDPyruvaldehyde, dibutyl acetalSCHEMBL1682654
Show more names
PYRUVIC ALDEHYDE DIBUTYL ACETAL
DTXSID10172848Pyruvaldehyde, 1-(dibutyl acetal)AKOS024333793NSC 158339NS00026281
Database identifiers
- CAS
19255-82-4- PubChem CID
- 87991
- DTXSID
DTXSID10172848- UNII
- N7H8EWY8ED
- EC Number
- 242-921-2
- Nikkaji
- J242.754K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- FDA UNII
- 7 H8EWY8ED · N7H8EWY8ED
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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