[(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane

C26H44O6SSi — CID 10481530

IUPAC[(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(CCCCCCOC1CCCCO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H44O6SSi/c1-25(2,3)34(4,5)31-21-23-26(32-23,33(27,28)22-15-9-8-10-16-22)18-12-6-7-13-19-29-24-17-11-14-20-30-24/h8-10,15-16,23-24H,6-7,11-14,17-21H2,1-5H3/t23-,24?,26-/m1/s1
InChIKeyQQDMNOYJMBDCHO-SKWHODKYSA-N
MW512.79 g/mol
LogP6.07
Rot. Bonds13

About [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10481530) has the molecular formula C26H44O6SSi and a molecular weight of 512.79 g/mol. Its IUPAC name is [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10481530
Molecular FormulaC26H44O6SSi
Molecular Weight512.79 g/mol
Exact Mass512.26
IUPAC Name[(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(CCCCCCOC1CCCCO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H44O6SSi/c1-25(2,3)34(4,5)31-21-23-26(32-23,33(27,28)22-15-9-8-10-16-22)18-12-6-7-13-19-29-24-17-11-14-20-30-24/h8-10,15-16,23-24H,6-7,11-14,17-21H2,1-5H3/t23-,24?,26-/m1/s1
InChIKeyQQDMNOYJMBDCHO-SKWHODKYSA-N
XLogP6.07
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.79
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

[(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
[2-(benzenesulfonyl)-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propyl]-trimethylsilane
CID 21681678
[(2S,3S,5R,6S,11R)-5-(benzenesulfonyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134936858
[(2R,3R)-3-(benzenesulfonyl)-3-hexyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10070297
[(2R,3R)-3-(benzenesulfonyl)-3-pentyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10386180
[(1R,2S)-3-(benzenesulfonyl)-2-[(3S)-3-cyclohexyl-3-(oxan-2-yloxy)prop-1-ynyl]cyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 9985230
[(4R)-13-(benzenesulfonyl)-4-(methoxymethoxy)tridecoxy]-tert-butyl-dimethylsilane
CID 10346413
[(4aR,6R,9aS)-2-(benzenesulfonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-6-yl]methoxy-tert-butyl-dimethylsilane
CID 10433392
[(2R,6R)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane
CID 10505505
[(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane
CID 10652942
[(2S,6S)-4-(benzenesulfonyl)-2,6-dimethyl-7-(oxan-2-yloxy)heptoxy]-tert-butyl-dimethylsilane
CID 10672964
2-[9-[2-(Benzenesulfonylmethyl)-1,3-dioxolan-4-yl]nonoxy]oxane
CID 10917440

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10481530) is [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(CCCCCCOC1CCCCO1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is QQDMNOYJMBDCHO-SKWHODKYSA-N. The full InChI is InChI=1S/C26H44O6SSi/c1-25(2,3)34(4,5)31-21-23-26(32-23,33(27,28)22-15-9-8-10-16-22)18-12-6-7-13-19-29-24-17-11-14-20-30-24/h8-10,15-16,23-24H,6-7,11-14,17-21H2,1-5H3/t23-,24?,26-/m1/s1.
What are the key properties of [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 512.79 g/mol, XLogP of 6.07, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10481530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).