[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane

C21H36O4SSi — CID 134936211

IUPAC[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
SMILESCC(C)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H36O4SSi/c1-14(2)19(25-27(15(3)4,16(5)6)17(7)8)20-21(24-20)26(22,23)18-12-10-9-11-13-18/h9-17,19-21H,1-8H3/t19?,20-,21-/m1/s1
InChIKeyIDGBSSIWXWOIEY-RWLBOTFQSA-N
MW412.67 g/mol
LogP5.40
Rot. Bonds9

About [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane

[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane (PubChem CID 134936211) has the molecular formula C21H36O4SSi and a molecular weight of 412.67 g/mol. Its IUPAC name is [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
PubChem CID134936211
Molecular FormulaC21H36O4SSi
Molecular Weight412.67 g/mol
Exact Mass412.21
IUPAC Name[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane
SMILESCC(C)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H36O4SSi/c1-14(2)19(25-27(15(3)4,16(5)6)17(7)8)20-21(24-20)26(22,23)18-12-10-9-11-13-18/h9-17,19-21H,1-8H3/t19?,20-,21-/m1/s1
InChIKeyIDGBSSIWXWOIEY-RWLBOTFQSA-N
XLogP5.40
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.67
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
[6-(Benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
CID 14101984
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452
[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10994066
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane?
The IUPAC name of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane (CID 134936211) is [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane is CC(C)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane?
The InChIKey is IDGBSSIWXWOIEY-RWLBOTFQSA-N. The full InChI is InChI=1S/C21H36O4SSi/c1-14(2)19(25-27(15(3)4,16(5)6)17(7)8)20-21(24-20)26(22,23)18-12-10-9-11-13-18/h9-17,19-21H,1-8H3/t19?,20-,21-/m1/s1.
What are the key properties of [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane?
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane has a molecular weight of 412.67 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134936211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).