Basic information
- Standard SMILES
COC(CC(OC)C(OC)OC)OC- InChIKey
UZZGIJJADGJEDT-UHFFFAOYSA-N- Molecular formula
- C9H20O5
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.13107373
Names & identifiers
- Preferred name
- 1,1,2,4,4-Pentamethoxybutane
- IUPAC
- 1,1,2,4,4-pentamethoxybutane
Names & synonyms
SCHEMBL67200001,1,2,4,4-pentamethoxybutaneUZZGIJJADGJEDT-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 18755677
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 122
Related reactions
1 records
Compound notes
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