Basic information
- CAS
67590-55-0- Standard SMILES
CC(C)C1OP2(=O)OCC1CO2- InChIKey
HBXQVIKSGSSJTQ-UHFFFAOYSA-N- Molecular formula
- C7H13O4P
- Average molar mass
- 192.15 g/mol
- Monoisotopic mass
- 192.05514589
Names & identifiers
- Preferred name
- 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 3-(1-methylethyl)-, 1-oxide
- IUPAC
- 3-propan-2-yl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
Names & synonyms
BRN 22591673-(1-Methylethyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide67590-55-02,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 3-(1-methylethyl)-, 1-oxideRefChem:247880DTXSID409869503-(Propan-2-yl)-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octan-1-one
Database identifiers
- CAS
67590-55-0- PubChem CID
- 3051636
- DTXSID
DTXSID40986950
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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