cyclohexylmethylsulfanylmethyl(diphenyl)silane

C20H26SSi — CID 171394332

IUPACcyclohexylmethylsulfanylmethyl(diphenyl)silane
SMILESc1ccc([SiH](CSCC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H26SSi/c1-4-10-18(11-5-1)16-21-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-9,12-15,18,22H,1,4-5,10-11,16-17H2
InChIKeyFNMUOOWTHRDKLA-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.88
Rot. Bonds6

About cyclohexylmethylsulfanylmethyl(diphenyl)silane

cyclohexylmethylsulfanylmethyl(diphenyl)silane (PubChem CID 171394332) has the molecular formula C20H26SSi and a molecular weight of 326.58 g/mol. Its IUPAC name is cyclohexylmethylsulfanylmethyl(diphenyl)silane.

Molecular Properties

Compound Namecyclohexylmethylsulfanylmethyl(diphenyl)silane
PubChem CID171394332
Molecular FormulaC20H26SSi
Molecular Weight326.58 g/mol
Exact Mass326.15
IUPAC Namecyclohexylmethylsulfanylmethyl(diphenyl)silane
SMILESc1ccc([SiH](CSCC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H26SSi/c1-4-10-18(11-5-1)16-21-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-9,12-15,18,22H,1,4-5,10-11,16-17H2
InChIKeyFNMUOOWTHRDKLA-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene
CID 71605318
(Cyclohexylmethyl)(phenyl)silane
CID 78063901
cyclohexylmethyl-(9H-fluoren-9-yl)-phenylsilane
CID 173383809
2-phenylethylcyclooctane
CID 54073487
1,3-dibenzylcyclooctane
CID 3045388
2-amino-4-(cyclopentylmethylsulfanyl)-2-phenylbutanenitrile
CID 116693340
3-(cyclohexylmethylsulfanyl)-4-ethyl-5-phenyl-1,2,4-triazole
CID 86058119
3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide
CID 64535909
[4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol
CID 112630936
dicyclohexyloxy(phenyl)silane
CID 135028162
cyclohexylmethoxybenzene
CID 14399287
cyclopropylmethylsulfanylbenzene
CID 579222

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethylsulfanylmethyl(diphenyl)silane?
The IUPAC name of cyclohexylmethylsulfanylmethyl(diphenyl)silane (CID 171394332) is cyclohexylmethylsulfanylmethyl(diphenyl)silane.
What is the SMILES notation for cyclohexylmethylsulfanylmethyl(diphenyl)silane?
The canonical SMILES for cyclohexylmethylsulfanylmethyl(diphenyl)silane is c1ccc([SiH](CSCC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of cyclohexylmethylsulfanylmethyl(diphenyl)silane?
The InChIKey is FNMUOOWTHRDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26SSi/c1-4-10-18(11-5-1)16-21-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2-3,6-9,12-15,18,22H,1,4-5,10-11,16-17H2.
What are the key properties of cyclohexylmethylsulfanylmethyl(diphenyl)silane?
cyclohexylmethylsulfanylmethyl(diphenyl)silane has a molecular weight of 326.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethylsulfanylmethyl(diphenyl)silane is sourced from PubChem (CID 171394332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).