[3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane

C17H42OS2Si4 — CID 134937869

IUPAC[3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane
SMILESCSC1(SC)CCCC(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1
InChIInChI=1S/C17H42OS2Si4/c1-19-17(20-2)14-12-13-16(15-17)18-24(21(3,4)5,22(6,7)8)23(9,10)11/h16H,12-15H2,1-11H3
InChIKeyFDYKKFNWCAUROD-UHFFFAOYSA-N
MW439.00 g/mol
LogP6.56
Rot. Bonds7

About [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane

[3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane (PubChem CID 134937869) has the molecular formula C17H42OS2Si4 and a molecular weight of 439.00 g/mol. Its IUPAC name is [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane.

Molecular Properties

Compound Name[3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane
PubChem CID134937869
Molecular FormulaC17H42OS2Si4
Molecular Weight439.00 g/mol
Exact Mass438.18
IUPAC Name[3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane
SMILESCSC1(SC)CCCC(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1
InChIInChI=1S/C17H42OS2Si4/c1-19-17(20-2)14-12-13-16(15-17)18-24(21(3,4)5,22(6,7)8)23(9,10)11/h16H,12-15H2,1-11H3
InChIKeyFDYKKFNWCAUROD-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

cyclopentyloxy-tris(trimethylsilyl)silane
CID 14640291
cyclopentyloxy(trimethyl)silane
CID 554693
trimethyl-[(1R,3S)-3-trimethylsilyloxycyclohexyl]oxysilane
CID 91697746
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
3-methoxy-1-methyl-1-[(E)-prop-1-enyl]cyclohexane
CID 167100938
trimethyl-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxysilane
CID 58864550
1-bicyclo[3.1.0]hexanyl(trimethyl)silane
CID 122403764
(7-methoxyspiro[2.5]octan-2-yl)methanamine
CID 106874327
1,1,3-tris(propylsulfanyl)cyclohexane
CID 135060819
2-(chloromethyl)-7-methoxyspiro[2.5]octane
CID 106875015
3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 106847195
1-methyl-3-[1-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane
CID 89274736

Frequently Asked Questions

What is the IUPAC name of [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane?
The IUPAC name of [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane (CID 134937869) is [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane.
What is the SMILES notation for [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane?
The canonical SMILES for [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane is CSC1(SC)CCCC(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1.
What is the InChIKey of [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane?
The InChIKey is FDYKKFNWCAUROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42OS2Si4/c1-19-17(20-2)14-12-13-16(15-17)18-24(21(3,4)5,22(6,7)8)23(9,10)11/h16H,12-15H2,1-11H3.
What are the key properties of [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane?
[3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane has a molecular weight of 439.00 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(methylsulfanyl)cyclohexyl]oxy-tris(trimethylsilyl)silane is sourced from PubChem (CID 134937869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).