Basic information
- CAS
67590-63-0- Standard SMILES
CC1OP2OCC1(C)CO2- InChIKey
MLGPPOIXKRPXDY-UHFFFAOYSA-N- Molecular formula
- C6H11O3P
- Average molar mass
- 162.12 g/mol
- Monoisotopic mass
- 162.04458121
Names & identifiers
- Preferred name
- 1,3-Propanediol, 1,2-dimethyl-2-(hydroxymethyl)-, cyclic phosphite (1:1)
- IUPAC
- 3,4-dimethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Names & synonyms
BRN 22381814,8-Dimethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane67590-63-02,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4,8-dimethyl-1,2-Dimethyl-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphite (1:1)1,3-Propanediol, 1,2-dimethyl-2-(hydroxymethyl)-, cyclic phosphite (1:1)RefChem:219538SCHEMBL10602310DTXSID009869513,4-dimethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Database identifiers
- CAS
67590-63-0- PubChem CID
- 3051643
- DTXSID
DTXSID00986951
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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