[tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate

C19H42F3O4PSSi — CID 134977303

IUPAC[tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate
SMILESCCCCP(CCCC)(CCCC)(OS(=O)(=O)C(F)(F)F)C(CC)O[Si](C)(C)C
InChIInChI=1S/C19H42F3O4PSSi/c1-8-12-15-27(16-13-9-2,17-14-10-3,18(11-4)25-29(5,6)7)26-28(23,24)19(20,21)22/h18H,8-17H2,1-7H3
InChIKeyNJPYKKBBYGAOHI-UHFFFAOYSA-N
MW482.66 g/mol
LogP7.31
Rot. Bonds15

About [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate

[tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate (PubChem CID 134977303) has the molecular formula C19H42F3O4PSSi and a molecular weight of 482.66 g/mol. Its IUPAC name is [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate
PubChem CID134977303
Molecular FormulaC19H42F3O4PSSi
Molecular Weight482.66 g/mol
Exact Mass482.23
IUPAC Name[tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate
SMILESCCCCP(CCCC)(CCCC)(OS(=O)(=O)C(F)(F)F)C(CC)O[Si](C)(C)C
InChIInChI=1S/C19H42F3O4PSSi/c1-8-12-15-27(16-13-9-2,17-14-10-3,18(11-4)25-29(5,6)7)26-28(23,24)19(20,21)22/h18H,8-17H2,1-7H3
InChIKeyNJPYKKBBYGAOHI-UHFFFAOYSA-N
XLogP7.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.66
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

[triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate
CID 134976930
[tributyl(methyl)-λ5-phosphanyl] trifluoromethanesulfonate
CID 87223937
[tributyl(octyl)-λ5-phosphanyl] trifluoromethanesulfonate
CID 87573486
tributyl(trifluoromethylsulfonyloxy)phosphanium
CID 87465902
tetrakis(trifluoromethylsulfonyloxy)boranuide;trimethyl(1-trimethylsilyloctan-4-yloxy)silane
CID 10079373
trimethyl-[(2R,3R)-1,1,1-trifluoro-2-nitrononan-3-yl]oxysilane
CID 15113678
1-fluorononyl trifluoromethanesulfonate
CID 122369701
pentanoic acid;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 159747202
amino(trioctyl)phosphanium;methyl trifluoromethanesulfonate
CID 174815242
3-(trifluoromethylsulfonyloxy)heptan-2-yl trifluoromethanesulfonate
CID 89439711
2-trimethylsilyloxybutanoic acid
CID 88616813
2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid
CID 22211916

Frequently Asked Questions

What is the IUPAC name of [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate?
The IUPAC name of [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate (CID 134977303) is [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate.
What is the SMILES notation for [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate?
The canonical SMILES for [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate is CCCCP(CCCC)(CCCC)(OS(=O)(=O)C(F)(F)F)C(CC)O[Si](C)(C)C.
What is the InChIKey of [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate?
The InChIKey is NJPYKKBBYGAOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42F3O4PSSi/c1-8-12-15-27(16-13-9-2,17-14-10-3,18(11-4)25-29(5,6)7)26-28(23,24)19(20,21)22/h18H,8-17H2,1-7H3.
What are the key properties of [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate?
[tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate has a molecular weight of 482.66 g/mol, XLogP of 7.31, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tributyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate is sourced from PubChem (CID 134977303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).