tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane

C32H50O2S2Si2 — CID 10603435

IUPACtert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(CSc2ccccc2)=C(CSc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C32H50O2S2Si2/c1-31(2,3)37(7,8)33-26-21-25(23-35-27-17-13-11-14-18-27)29(24-36-28-19-15-12-16-20-28)30(22-26)34-38(9,10)32(4,5)6/h11-20,26,30H,21-24H2,1-10H3/t26-,30+/m1/s1
InChIKeyDWKDWSIJQARBSA-VIZCGCQYSA-N
MW587.06 g/mol
LogP10.44
Rot. Bonds10

About tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 10603435) has the molecular formula C32H50O2S2Si2 and a molecular weight of 587.06 g/mol. Its IUPAC name is tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID10603435
Molecular FormulaC32H50O2S2Si2
Molecular Weight587.06 g/mol
Exact Mass586.28
IUPAC Nametert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(CSc2ccccc2)=C(CSc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C32H50O2S2Si2/c1-31(2,3)37(7,8)33-26-21-25(23-35-27-17-13-11-14-18-27)29(24-36-28-19-15-12-16-20-28)30(22-26)34-38(9,10)32(4,5)6/h11-20,26,30H,21-24H2,1-10H3/t26-,30+/m1/s1
InChIKeyDWKDWSIJQARBSA-VIZCGCQYSA-N
XLogP10.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.06
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
Trimethyl-(2-methylidene-6-phenylsulfanyl-4-trimethylsilyloxyhexyl)silane
CID 11132308
1,1-Bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane
CID 134877975
trimethyl-[(1S,3R)-6-phenylsulfanyl-1-(3-phenylsulfanylpropyl)-3-trimethylsilyloxyhexoxy]silane
CID 134878963
tert-butyl-dimethyl-[(E,1S,2S)-1-phenyl-2-phenylsulfanyldec-3-enoxy]silane
CID 135018818
tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane
CID 135018969
1-[4,5-Bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]-2-phenylsulfanylethanol
CID 19000616
tert-butyl-dimethyl-[(1R,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane
CID 10072271
tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanyl-2-phenylethoxy]-dimethylsilane
CID 10097035
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfanyl-2-phenylethoxy]-dimethylsilane
CID 10368246
tert-butyl-dimethyl-[(1S,2S)-1-(4-methylphenyl)sulfanyl-2-phenyl-2-trimethylsilyloxyethoxy]silane
CID 10433719
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane
CID 10529185

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane (CID 10603435) is tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CC(CSc2ccccc2)=C(CSc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is DWKDWSIJQARBSA-VIZCGCQYSA-N. The full InChI is InChI=1S/C32H50O2S2Si2/c1-31(2,3)37(7,8)33-26-21-25(23-35-27-17-13-11-14-18-27)29(24-36-28-19-15-12-16-20-28)30(22-26)34-38(9,10)32(4,5)6/h11-20,26,30H,21-24H2,1-10H3/t26-,30+/m1/s1.
What are the key properties of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 587.06 g/mol, XLogP of 10.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(phenylsulfanylmethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10603435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).