tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane

C20H34OSSi — CID 58118096

IUPACtert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane
SMILESCSc1ccc(CC2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H34OSSi/c1-20(2,3)23(5,6)21-18-11-7-16(8-12-18)15-17-9-13-19(22-4)14-10-17/h9-10,13-14,16,18H,7-8,11-12,15H2,1-6H3
InChIKeyRNCZQYNGAHAPBE-UHFFFAOYSA-N
MW350.64 g/mol
LogP6.53
Rot. Bonds5

About tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane (PubChem CID 58118096) has the molecular formula C20H34OSSi and a molecular weight of 350.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane
PubChem CID58118096
Molecular FormulaC20H34OSSi
Molecular Weight350.64 g/mol
Exact Mass350.21
IUPAC Nametert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane
SMILESCSc1ccc(CC2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H34OSSi/c1-20(2,3)23(5,6)21-18-11-7-16(8-12-18)15-17-9-13-19(22-4)14-10-17/h9-10,13-14,16,18H,7-8,11-12,15H2,1-6H3
InChIKeyRNCZQYNGAHAPBE-UHFFFAOYSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane (CID 58118096) is tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane is CSc1ccc(CC2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane?
The InChIKey is RNCZQYNGAHAPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34OSSi/c1-20(2,3)23(5,6)21-18-11-7-16(8-12-18)15-17-9-13-19(22-4)14-10-17/h9-10,13-14,16,18H,7-8,11-12,15H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane?
tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane has a molecular weight of 350.64 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[(4-methylsulfanylphenyl)methyl]cyclohexyl]oxysilane is sourced from PubChem (CID 58118096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).