[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane

C30H40O5SSi — CID 10030212

IUPAC[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane
SMILESCOCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C30H40O5SSi/c1-25(21-22-36(31,32)26-15-9-6-10-16-26)29(34-24-33-5)23-35-37(30(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,25,29H,21-24H2,1-5H3/t25-,29+/m0/s1
InChIKeyYTXJYROCICPNNJ-ABYGYWHVSA-N
MW540.80 g/mol
LogP5.05
Rot. Bonds13

About [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane

[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane (PubChem CID 10030212) has the molecular formula C30H40O5SSi and a molecular weight of 540.80 g/mol. Its IUPAC name is [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane
PubChem CID10030212
Molecular FormulaC30H40O5SSi
Molecular Weight540.80 g/mol
Exact Mass540.24
IUPAC Name[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane
SMILESCOCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C30H40O5SSi/c1-25(21-22-36(31,32)26-15-9-6-10-16-26)29(34-24-33-5)23-35-37(30(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,25,29H,21-24H2,1-5H3/t25-,29+/m0/s1
InChIKeyYTXJYROCICPNNJ-ABYGYWHVSA-N
XLogP5.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.80
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,5R,6S,11R)-5-(benzenesulfonyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10008618
[(4R,5S,6S)-8-(benzenesulfonyl)-5-(methoxymethoxy)-4,6-dimethyloctoxy]-tert-butyl-diphenylsilane
CID 10438503
[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10994066
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
[(E)-8,8-bis(benzenesulfonyl)-1,1-diethoxyoct-5-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 101929822
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
CID 134878980
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane
CID 134936973
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 134937816
[(1R,2R,6S)-2-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]methyl tert-butyl carbonate
CID 139182732
tert-butyl-[(2S)-2-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-4-(4-methylphenyl)sulfonylbutoxy]-diphenylsilane
CID 10555914
(5S,6S)-7-(benzenesulfonyl)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhept-1-en-4-one
CID 11016780

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane (CID 10030212) is [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane is COCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane?
The InChIKey is YTXJYROCICPNNJ-ABYGYWHVSA-N. The full InChI is InChI=1S/C30H40O5SSi/c1-25(21-22-36(31,32)26-15-9-6-10-16-26)29(34-24-33-5)23-35-37(30(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,25,29H,21-24H2,1-5H3/t25-,29+/m0/s1.
What are the key properties of [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane?
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane has a molecular weight of 540.80 g/mol, XLogP of 5.05, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 10030212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).