[(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane

C20H34O4SSi — CID 10386180

IUPAC[(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCCCCC[C@]1(S(=O)(=O)c2ccccc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4SSi/c1-7-8-12-15-20(25(21,22)17-13-10-9-11-14-17)18(24-20)16-23-26(5,6)19(2,3)4/h9-11,13-14,18H,7-8,12,15-16H2,1-6H3/t18-,20-/m1/s1
InChIKeyIIABFNDKAKSHDT-UYAOXDASSA-N
MW398.64 g/mol
LogP5.16
Rot. Bonds9

About [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10386180) has the molecular formula C20H34O4SSi and a molecular weight of 398.64 g/mol. Its IUPAC name is [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10386180
Molecular FormulaC20H34O4SSi
Molecular Weight398.64 g/mol
Exact Mass398.19
IUPAC Name[(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCCCCC[C@]1(S(=O)(=O)c2ccccc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4SSi/c1-7-8-12-15-20(25(21,22)17-13-10-9-11-14-17)18(24-20)16-23-26(5,6)19(2,3)4/h9-11,13-14,18H,7-8,12,15-16H2,1-6H3/t18-,20-/m1/s1
InChIKeyIIABFNDKAKSHDT-UYAOXDASSA-N
XLogP5.16
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane 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

[(3S)-1-[(2S,5R)-5-[2-(benzenesulfonyl)ethyl]-3-methylideneoxolan-2-yl]-5-methylhepta-5,6-dien-3-yl]oxy-triethylsilane
CID 141676408
[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452
[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11133706
[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11227178
[(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11735083
[(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 14385208
[(3R,4R)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 21607909
[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane
CID 101161742
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305
[(2S,3R,4S,5S,6S)-2-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 132575049
[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134878363
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex(a)-Bes
CID 134878493

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10386180) is [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane is CCCCC[C@]1(S(=O)(=O)c2ccccc2)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is IIABFNDKAKSHDT-UYAOXDASSA-N. The full InChI is InChI=1S/C20H34O4SSi/c1-7-8-12-15-20(25(21,22)17-13-10-9-11-14-17)18(24-20)16-23-26(5,6)19(2,3)4/h9-11,13-14,18H,7-8,12,15-16H2,1-6H3/t18-,20-/m1/s1.
What are the key properties of [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 398.64 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10386180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).