1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol

C19H34O5SSi — CID 19430041

IUPAC1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol
SMILESCc1ccc(S(=O)(=O)C(O)C(O)C(O)[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C19H34O5SSi/c1-12(2)26(13(3)4,14(5)6)19(22)17(20)18(21)25(23,24)16-10-8-15(7)9-11-16/h8-14,17-22H,1-7H3
InChIKeyOKPWXGRCHSFVBG-UHFFFAOYSA-N
MW402.63 g/mol
LogP3.03
Rot. Bonds8

About 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol

1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol (PubChem CID 19430041) has the molecular formula C19H34O5SSi and a molecular weight of 402.63 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol
PubChem CID19430041
Molecular FormulaC19H34O5SSi
Molecular Weight402.63 g/mol
Exact Mass402.19
IUPAC Name1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol
SMILESCc1ccc(S(=O)(=O)C(O)C(O)C(O)[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C19H34O5SSi/c1-12(2)26(13(3)4,14(5)6)19(22)17(20)18(21)25(23,24)16-10-8-15(7)9-11-16/h8-14,17-22H,1-7H3
InChIKeyOKPWXGRCHSFVBG-UHFFFAOYSA-N
XLogP3.03
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.63
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
CID 115623
4-[(4-Methylphenyl)sulfonyl]tetrahydro-3-thiopheneol 1,1-dioxide
CID 2829781
2-Methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
CID 14640298
(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
1-(4-Methylbenzenesulfonyl)propan-2-ol
CID 11229637
Tosylglycerol
CID 20535709
1-Tosyltetraethylene glycol
CID 21244009
2-(4-Methylphenyl)sulfonylpropan-1-ol
CID 53423554
Di(p-toluenesulfonyl)ethylene glycol
CID 85876525
Triethylene glycol monotosyl ester
CID 117680098
Monotosyl ethylene glycol
CID 139266887
(3S,4S)-2-methyl-3-[(4-methylphenyl)sulfonylmethyl]pentane-2,4-diol
CID 10356675

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol (CID 19430041) is 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol is Cc1ccc(S(=O)(=O)C(O)C(O)C(O)[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol?
The InChIKey is OKPWXGRCHSFVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5SSi/c1-12(2)26(13(3)4,14(5)6)19(22)17(20)18(21)25(23,24)16-10-8-15(7)9-11-16/h8-14,17-22H,1-7H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol?
1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol has a molecular weight of 402.63 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-tri(propan-2-yl)silylpropane-1,2,3-triol is sourced from PubChem (CID 19430041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).