Basic information
- CAS
150196-31-9- Standard SMILES
OCC(CO)OC1CCCCO1- InChIKey
MAFDEANKQYPHFZ-UHFFFAOYSA-N- Molecular formula
- C8H16O4
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.10485899
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-
- IUPAC
- 2-(oxan-2-yloxy)propane-1,3-diol
Names & synonyms
150196-31-91,3-Propanediol, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-SCHEMBL11864935DTXSID404694702-[(Oxan-2-yl)oxy]propane-1,3-diol
Database identifiers
- CAS
150196-31-9- PubChem CID
- 11615270
- DTXSID
DTXSID40469470
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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