Basic information
- Standard SMILES
CCCCOC(C)([O-])[O-]- InChIKey
QBVNLQVYXQXGHB-UHFFFAOYSA-N- Molecular formula
- C6H12O3-2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- n-Butyl orthoacetate
- IUPAC
- 1-butoxyethane-1,1-diolate
Names & synonyms
n-butyl orthoacetateQBVNLQVYXQXGHB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86734837
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- -2
- Complexity
- 70
Related reactions
1 records
Compound notes
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