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

C19H32O4SSi — CID 134937813

IUPAC1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H32O4SSi/c1-13(2)25(14(3)4,15(5)6)23-16(7)18-19(22-18)24(20,21)17-11-9-8-10-12-17/h8-16,18-19H,1-7H3/t16?,18-,19-/m1/s1
InChIKeyKQDRHNFRTUJBKX-VOBHOPKGSA-N
MW384.61 g/mol
LogP4.77
Rot. Bonds8

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

1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane (PubChem CID 134937813) has the molecular formula C19H32O4SSi and a molecular weight of 384.61 g/mol. Its IUPAC name is 1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane
PubChem CID134937813
Molecular FormulaC19H32O4SSi
Molecular Weight384.61 g/mol
Exact Mass384.18
IUPAC Name1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H32O4SSi/c1-13(2)25(14(3)4,15(5)6)23-16(7)18-19(22-18)24(20,21)17-11-9-8-10-12-17/h8-16,18-19H,1-7H3/t16?,18-,19-/m1/s1
InChIKeyKQDRHNFRTUJBKX-VOBHOPKGSA-N
XLogP4.77
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 54.77
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'}

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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
2-[[(E)-2-(benzenesulfonyl)ethenoxy]methyl]oxirane
CID 15480608
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
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
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane (CID 134937813) is 1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane is CC(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]ethoxy-tri(propan-2-yl)silane?
The InChIKey is KQDRHNFRTUJBKX-VOBHOPKGSA-N. The full InChI is InChI=1S/C19H32O4SSi/c1-13(2)25(14(3)4,15(5)6)23-16(7)18-19(22-18)24(20,21)17-11-9-8-10-12-17/h8-16,18-19H,1-7H3/t16?,18-,19-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane?
1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane has a molecular weight of 384.61 g/mol, XLogP of 4.77, 8 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]ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134937813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).