tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane

C18H32O3SSi — CID 21076539

IUPACtert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane
SMILESCC(C)(CCc1ccc(S(C)(=O)=O)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3SSi/c1-17(2,3)23(7,8)21-18(4,5)14-13-15-9-11-16(12-10-15)22(6,19)20/h9-12H,13-14H2,1-8H3
InChIKeyVEBIWLISGZJDNZ-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.82
Rot. Bonds6

About tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane

tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane (PubChem CID 21076539) has the molecular formula C18H32O3SSi and a molecular weight of 356.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane
PubChem CID21076539
Molecular FormulaC18H32O3SSi
Molecular Weight356.60 g/mol
Exact Mass356.18
IUPAC Nametert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane
SMILESCC(C)(CCc1ccc(S(C)(=O)=O)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3SSi/c1-17(2,3)23(7,8)21-18(4,5)14-13-15-9-11-16(12-10-15)22(6,19)20/h9-12H,13-14H2,1-8H3
InChIKeyVEBIWLISGZJDNZ-UHFFFAOYSA-N
XLogP4.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane (CID 21076539) is tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane is CC(C)(CCc1ccc(S(C)(=O)=O)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane?
The InChIKey is VEBIWLISGZJDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3SSi/c1-17(2,3)23(7,8)21-18(4,5)14-13-15-9-11-16(12-10-15)22(6,19)20/h9-12H,13-14H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane?
tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane has a molecular weight of 356.60 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-4-(4-methylsulfonylphenyl)butan-2-yl]oxysilane is sourced from PubChem (CID 21076539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).