[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate

C10H21F3O4SSi — CID 15316053

IUPAC[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate
SMILESC[C@H](COS(=O)(=O)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H21F3O4SSi/c1-8(17-19(5,6)9(2,3)4)7-16-18(14,15)10(11,12)13/h8H,7H2,1-6H3/t8-/m1/s1
InChIKeyKSJITHXAFSOHJF-MRVPVSSYSA-N
MW322.42 g/mol
LogP3.26
Rot. Bonds5

About [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate

[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate (PubChem CID 15316053) has the molecular formula C10H21F3O4SSi and a molecular weight of 322.42 g/mol. Its IUPAC name is [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate
PubChem CID15316053
Molecular FormulaC10H21F3O4SSi
Molecular Weight322.42 g/mol
Exact Mass322.09
IUPAC Name[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate
SMILESC[C@H](COS(=O)(=O)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H21F3O4SSi/c1-8(17-19(5,6)9(2,3)4)7-16-18(14,15)10(11,12)13/h8H,7H2,1-6H3/t8-/m1/s1
InChIKeyKSJITHXAFSOHJF-MRVPVSSYSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate?
The IUPAC name of [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate (CID 15316053) is [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate.
What is the SMILES notation for [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate?
The canonical SMILES for [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate is C[C@H](COS(=O)(=O)C(F)(F)F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate?
The InChIKey is KSJITHXAFSOHJF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21F3O4SSi/c1-8(17-19(5,6)9(2,3)4)7-16-18(14,15)10(11,12)13/h8H,7H2,1-6H3/t8-/m1/s1.
What are the key properties of [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate?
[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate has a molecular weight of 322.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl] trifluoromethanesulfonate is sourced from PubChem (CID 15316053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).