Basic information
- CAS
6187-14-0- Standard SMILES
CCCCOC(=O)C(OCCCC)OCCCC- InChIKey
LEQXXBBCRATLPW-UHFFFAOYSA-N- Molecular formula
- C14H28O4
- Average molar mass
- 260.37 g/mol
- Monoisotopic mass
- 260.19875937
Names & identifiers
- Preferred name
- Acetic acid, dibutoxy-, butyl ester
- IUPAC
- butyl 2,2-dibutoxyacetate
Names & synonyms
Butyl dibutoxyacetateAcetic acid, dibutoxy-, butyl esterButyl glyoxylate dibutylacetal6187-14-0n-butyl dibutoxyacetateButyl dibutoxyacetate #BUTYL DIBUTOXY ACETATESCHEMBL3720214Dibutoxyacetic acid, butyl esterDTXSID50337873LEQXXBBCRATLPW-UHFFFAOYSA-NQ63409396
Database identifiers
- CAS
6187-14-0- PubChem CID
- 545227
- DTXSID
DTXSID50337873- Nikkaji
- J47.639K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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