tris(2-methylpropyl)silyl ethanesulfonate

C14H32O3SSi — CID 21103002

IUPACtris(2-methylpropyl)silyl ethanesulfonate
SMILESCCS(=O)(=O)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C14H32O3SSi/c1-8-18(15,16)17-19(9-12(2)3,10-13(4)5)11-14(6)7/h12-14H,8-11H2,1-7H3
InChIKeyNCMIVZMWROXLSX-UHFFFAOYSA-N
MW308.56 g/mol
LogP4.27
Rot. Bonds9

About tris(2-methylpropyl)silyl ethanesulfonate

tris(2-methylpropyl)silyl ethanesulfonate (PubChem CID 21103002) has the molecular formula C14H32O3SSi and a molecular weight of 308.56 g/mol. Its IUPAC name is tris(2-methylpropyl)silyl ethanesulfonate.

Molecular Properties

Compound Nametris(2-methylpropyl)silyl ethanesulfonate
PubChem CID21103002
Molecular FormulaC14H32O3SSi
Molecular Weight308.56 g/mol
Exact Mass308.18
IUPAC Nametris(2-methylpropyl)silyl ethanesulfonate
SMILESCCS(=O)(=O)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C14H32O3SSi/c1-8-18(15,16)17-19(9-12(2)3,10-13(4)5)11-14(6)7/h12-14H,8-11H2,1-7H3
InChIKeyNCMIVZMWROXLSX-UHFFFAOYSA-N
XLogP4.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 54.27
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

tris(2-methylpropyl)silyl benzenesulfonate
CID 21103001
tris(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silane
CID 139812736
ethoxy-ethyl-bis(2-methylpropyl)silane
CID 151175170
ethoxy-diethyl-(2-methylpropyl)silane
CID 87447159
3-methylbutyl ethanesulfonate
CID 139845432
tri(propan-2-yl)silyl propane-1-sulfonate
CID 21103012
3-(3-methylbutoxy)propyl ethanesulfonate
CID 139845315
CID 86744803
CID 86744803
propylsulfonyl propane-1-sulfonate
CID 11031687
bis(4-methylpentan-2-yl) methanedisulfonate
CID 89483101
sodium;dihydroxymethyl ethanesulfonate;hydride
CID 174433605
chloro-ethoxy-bis(2-methylpropyl)silane
CID 88926142

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)silyl ethanesulfonate?
The IUPAC name of tris(2-methylpropyl)silyl ethanesulfonate (CID 21103002) is tris(2-methylpropyl)silyl ethanesulfonate.
What is the SMILES notation for tris(2-methylpropyl)silyl ethanesulfonate?
The canonical SMILES for tris(2-methylpropyl)silyl ethanesulfonate is CCS(=O)(=O)O[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of tris(2-methylpropyl)silyl ethanesulfonate?
The InChIKey is NCMIVZMWROXLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3SSi/c1-8-18(15,16)17-19(9-12(2)3,10-13(4)5)11-14(6)7/h12-14H,8-11H2,1-7H3.
What are the key properties of tris(2-methylpropyl)silyl ethanesulfonate?
tris(2-methylpropyl)silyl ethanesulfonate has a molecular weight of 308.56 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)silyl ethanesulfonate is sourced from PubChem (CID 21103002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).