2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 3-methyl-4-propyl-, 1-oxide
Basic information
- CAS
82515-38-6- Standard SMILES
CCCC12COP(=O)(OC1)OC2C- InChIKey
JJMCXFDGEZKCQY-UHFFFAOYSA-N- Molecular formula
- C8H15O4P
- Average molar mass
- 206.18 g/mol
- Monoisotopic mass
- 206.07079595
Names & identifiers
- Preferred name
- 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 3-methyl-4-propyl-, 1-oxide
- IUPAC
- 3-methyl-4-propyl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
Names & synonyms
3-Methyl-4-propyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide82515-38-62,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 3-methyl-4-propyl-, 1-oxide1,3-Propanediol, 2-(hydroxymethyl)-1-methyl-2-propyl-, cyclic phosphate (1:1)RefChem:247881DTXSID8010027523-Methyl-4-propyl-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octan-1-one
Database identifiers
- CAS
82515-38-6- PubChem CID
- 3067950
- DTXSID
DTXSID801002752
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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