tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane

C27H48O2SSi2 — CID 134879371

IUPACtert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane
SMILESCC[Si](CC)(CC)/C(=C/[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]1C)Sc1ccccc1
InChIInChI=1S/C27H48O2SSi2/c1-10-32(11-2,12-3)26(30-24-16-14-13-15-17-24)20-25-22(4)18-19-23(29-25)21-28-31(8,9)27(5,6)7/h13-17,20,22-23,25H,10-12,18-19,21H2,1-9H3/b26-20+/t22-,23-,25-/m0/s1
InChIKeyHCRSVXFFVWLITJ-CXJABIJHSA-N
MW492.92 g/mol
LogP8.92
Rot. Bonds10

About tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane (PubChem CID 134879371) has the molecular formula C27H48O2SSi2 and a molecular weight of 492.92 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane
PubChem CID134879371
Molecular FormulaC27H48O2SSi2
Molecular Weight492.92 g/mol
Exact Mass492.29
IUPAC Nametert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane
SMILESCC[Si](CC)(CC)/C(=C/[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]1C)Sc1ccccc1
InChIInChI=1S/C27H48O2SSi2/c1-10-32(11-2,12-3)26(30-24-16-14-13-15-17-24)20-25-22(4)18-19-23(29-25)21-28-31(8,9)27(5,6)7/h13-17,20,22-23,25H,10-12,18-19,21H2,1-9H3/b26-20+/t22-,23-,25-/m0/s1
InChIKeyHCRSVXFFVWLITJ-CXJABIJHSA-N
XLogP8.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.92
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
CID 11092607
triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane
CID 134946760
tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane
CID 11318037
Tert-butyl-(6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-yl)oxy-dimethylsilane
CID 68205861
[(2S,3S,4R,5R,6R)-6-[(E)-2-(benzenesulfonyl)ethenyl]-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]methanol
CID 140807468
Tert-butyl-dimethyl-[[4-(3-methylphenyl)sulfanyloxan-2-yl]methoxy]silane
CID 157973134
[(2S,3S,4S,5R,6R)-6-[2-(benzenesulfonyl)ethenyl]-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]methanol
CID 173623362
[(2S,3S,4R,5R,6R)-6-[2-(benzenesulfonyl)ethenyl]-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]methanol
CID 173623363
[6-[(E)-2-(benzenesulfonyl)ethenyl]-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]methanol
CID 173624548
[(2S,4R,5R)-6-[(E)-2-(benzenesulfonyl)ethenyl]-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]methanol
CID 173624555
tri(propan-2-yl)-[2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyl-3-phenylsulfanyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enoxy]silane
CID 10908678
(2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol
CID 10959875

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane (CID 134879371) is tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane is CC[Si](CC)(CC)/C(=C/[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]1C)Sc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane?
The InChIKey is HCRSVXFFVWLITJ-CXJABIJHSA-N. The full InChI is InChI=1S/C27H48O2SSi2/c1-10-32(11-2,12-3)26(30-24-16-14-13-15-17-24)20-25-22(4)18-19-23(29-25)21-28-31(8,9)27(5,6)7/h13-17,20,22-23,25H,10-12,18-19,21H2,1-9H3/b26-20+/t22-,23-,25-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane has a molecular weight of 492.92 g/mol, XLogP of 8.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane is sourced from PubChem (CID 134879371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).