[(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane

C32H42O4SSi — CID 101038654

IUPAC[(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCC(CS(=O)(=O)c1ccccc1)[C@@H]1CCC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C32H42O4SSi/c1-5-26(25-37(33,34)28-17-9-6-10-18-28)31-23-15-16-27(36-31)24-35-38(32(2,3)4,29-19-11-7-12-20-29)30-21-13-8-14-22-30/h6-14,17-22,26-27,31H,5,15-16,23-25H2,1-4H3/t26?,27-,31-/m0/s1
InChIKeyQJZCAXSPLNFGBR-XTEJFLLXSA-N
MW550.84 g/mol
LogP6.00
Rot. Bonds10

About [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 101038654) has the molecular formula C32H42O4SSi and a molecular weight of 550.84 g/mol. Its IUPAC name is [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID101038654
Molecular FormulaC32H42O4SSi
Molecular Weight550.84 g/mol
Exact Mass550.26
IUPAC Name[(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCCC(CS(=O)(=O)c1ccccc1)[C@@H]1CCC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C32H42O4SSi/c1-5-26(25-37(33,34)28-17-9-6-10-18-28)31-23-15-16-27(36-31)24-35-38(32(2,3)4,29-19-11-7-12-20-29)30-21-13-8-14-22-30/h6-14,17-22,26-27,31H,5,15-16,23-25H2,1-4H3/t26?,27-,31-/m0/s1
InChIKeyQJZCAXSPLNFGBR-XTEJFLLXSA-N
XLogP6.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.84
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 101038654) is [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane is CCC(CS(=O)(=O)c1ccccc1)[C@@H]1CCC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is QJZCAXSPLNFGBR-XTEJFLLXSA-N. The full InChI is InChI=1S/C32H42O4SSi/c1-5-26(25-37(33,34)28-17-9-6-10-18-28)31-23-15-16-27(36-31)24-35-38(32(2,3)4,29-19-11-7-12-20-29)30-21-13-8-14-22-30/h6-14,17-22,26-27,31H,5,15-16,23-25H2,1-4H3/t26?,27-,31-/m0/s1.
What are the key properties of [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 550.84 g/mol, XLogP of 6.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 101038654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).