[4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane

C22H34O2S2Si2 — CID 57089195

IUPAC[4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane
SMILESCc1cc(SSc2cc(C)c(O[Si](C)(C)C)c(C)c2)cc(C)c1O[Si](C)(C)C
InChIInChI=1S/C22H34O2S2Si2/c1-15-11-19(12-16(2)21(15)23-27(5,6)7)25-26-20-13-17(3)22(18(4)14-20)24-28(8,9)10/h11-14H,1-10H3
InChIKeyLSSJLQVZODSVBK-UHFFFAOYSA-N
MW450.82 g/mol
LogP8.15
Rot. Bonds7

About [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane

[4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane (PubChem CID 57089195) has the molecular formula C22H34O2S2Si2 and a molecular weight of 450.82 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane
PubChem CID57089195
Molecular FormulaC22H34O2S2Si2
Molecular Weight450.82 g/mol
Exact Mass450.15
IUPAC Name[4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane
SMILESCc1cc(SSc2cc(C)c(O[Si](C)(C)C)c(C)c2)cc(C)c1O[Si](C)(C)C
InChIInChI=1S/C22H34O2S2Si2/c1-15-11-19(12-16(2)21(15)23-27(5,6)7)25-26-20-13-17(3)22(18(4)14-20)24-28(8,9)10/h11-14H,1-10H3
InChIKeyLSSJLQVZODSVBK-UHFFFAOYSA-N
XLogP8.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.82
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane?
The IUPAC name of [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane (CID 57089195) is [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane.
What is the SMILES notation for [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane?
The canonical SMILES for [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane is Cc1cc(SSc2cc(C)c(O[Si](C)(C)C)c(C)c2)cc(C)c1O[Si](C)(C)C.
What is the InChIKey of [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane?
The InChIKey is LSSJLQVZODSVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2S2Si2/c1-15-11-19(12-16(2)21(15)23-27(5,6)7)25-26-20-13-17(3)22(18(4)14-20)24-28(8,9)10/h11-14H,1-10H3.
What are the key properties of [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane?
[4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane has a molecular weight of 450.82 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-4-trimethylsilyloxyphenyl)disulfanyl]-2,6-dimethylphenoxy]-trimethylsilane is sourced from PubChem (CID 57089195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).