Tert-Butyl-bicyclophosphate | |
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Molecular structure via molpic based on CDK |
Conformer [] | |
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Conformer structure via JSmol |
Physical properties [] | |
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Molecular mass | 206.18 g/mol [1] |
Predicted LogP | 0.9 [1] |
Structural Identifiers [] | |
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Molecular formula | C8H15O4P [1] |
IUPAC name | 4-tert-butyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide [1] |
SMILES | CC(C)(C)C12COP(=O)(OC1)OC2 [1] |
InChI | InChI=1S/C8H15O4P/c1-7(2,3)8-4-10-13(9,11-5-8)12-6-8/h4-6H2,1-3H3 [1] |
InChIKey | CNBZOKKOTFTYLW-UHFFFAOYSA-N [1] |
Tert-Butyl-bicyclophosphate
Tert-Butyl-bicyclophosphate (also known as tert-Butyl-bicyclophosphate, t-Butyl-bicyclophosphate, 4-t-Butyl-1-oxo-1-phospha-2,6,7-trioxabicyclo(2.2.2)octane, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octan-1-one, 4-(tert-butyl)-, 4-(tert-Butyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octan-1-one, 2-(tert-Butyl)-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphate, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-, 1-oxide, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-(1,1-dimethylethyl)-, 1-oxide, 1,3-PROPANEDIOL, 2-(tert-BUTYL)-2-(HYDROXYMETHYL)-, CYCLIC PHOSPHATE or 4-(tert-Butyl)-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide) is a neurotoxin substance of the alcohol class.
Stereochemistry []
Tert-Butyl-bicyclophosphate is a