tri(propan-2-yl)silyl propane-1-sulfonate

C12H28O3SSi — CID 21103012

IUPACtri(propan-2-yl)silyl propane-1-sulfonate
SMILESCCCS(=O)(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H28O3SSi/c1-8-9-16(13,14)15-17(10(2)3,11(4)5)12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyYSZZRRQTHJIPBK-UHFFFAOYSA-N
MW280.51 g/mol
LogP3.92
Rot. Bonds7

About tri(propan-2-yl)silyl propane-1-sulfonate

tri(propan-2-yl)silyl propane-1-sulfonate (PubChem CID 21103012) has the molecular formula C12H28O3SSi and a molecular weight of 280.51 g/mol. Its IUPAC name is tri(propan-2-yl)silyl propane-1-sulfonate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl propane-1-sulfonate
PubChem CID21103012
Molecular FormulaC12H28O3SSi
Molecular Weight280.51 g/mol
Exact Mass280.15
IUPAC Nametri(propan-2-yl)silyl propane-1-sulfonate
SMILESCCCS(=O)(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H28O3SSi/c1-8-9-16(13,14)15-17(10(2)3,11(4)5)12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyYSZZRRQTHJIPBK-UHFFFAOYSA-N
XLogP3.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-tri(propan-2-yl)silyloxysulfonylethanesulfonate
CID 87764502
sodium;hydride;trimethylsilyl propane-1-sulfonate
CID 173422421
propylsulfonyl propane-1-sulfonate
CID 11031687
[ethyl(dimethyl)silyl] butane-1-sulfonate
CID 91419069
CID 175973653
CID 175973653
propylsulfonyl formate
CID 87151772
[dimethyl(octyl)silyl] butane-1-sulfonate
CID 90964254
2,3-bis(propylsulfonyloxy)propyl propane-1-sulfonate
CID 21102706
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
acetic acid;propylsulfonyl propane-1-sulfonate
CID 146345923
lithium propane-1-sulfonate
CID 131984534
hydroxy-oxo-propylsulfonyloxyphosphanium
CID 174575206

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl propane-1-sulfonate?
The IUPAC name of tri(propan-2-yl)silyl propane-1-sulfonate (CID 21103012) is tri(propan-2-yl)silyl propane-1-sulfonate.
What is the SMILES notation for tri(propan-2-yl)silyl propane-1-sulfonate?
The canonical SMILES for tri(propan-2-yl)silyl propane-1-sulfonate is CCCS(=O)(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl propane-1-sulfonate?
The InChIKey is YSZZRRQTHJIPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3SSi/c1-8-9-16(13,14)15-17(10(2)3,11(4)5)12(6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of tri(propan-2-yl)silyl propane-1-sulfonate?
tri(propan-2-yl)silyl propane-1-sulfonate has a molecular weight of 280.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl propane-1-sulfonate is sourced from PubChem (CID 21103012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).