tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane

C13H22OSSi — CID 13352514

IUPACtert-butyl-dimethyl-(phenylsulfanylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCSc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-13(2,3)16(4,5)14-11-15-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeySXIZPUXUEKXHAI-UHFFFAOYSA-N
MW254.47 g/mol
LogP4.76
Rot. Bonds4

About tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane

tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane (PubChem CID 13352514) has the molecular formula C13H22OSSi and a molecular weight of 254.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(phenylsulfanylmethoxy)silane
PubChem CID13352514
Molecular FormulaC13H22OSSi
Molecular Weight254.47 g/mol
Exact Mass254.12
IUPAC Nametert-butyl-dimethyl-(phenylsulfanylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCSc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-13(2,3)16(4,5)14-11-15-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeySXIZPUXUEKXHAI-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane (CID 13352514) is tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane is CC(C)(C)[Si](C)(C)OCSc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane?
The InChIKey is SXIZPUXUEKXHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSSi/c1-13(2,3)16(4,5)14-11-15-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane?
tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane has a molecular weight of 254.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(phenylsulfanylmethoxy)silane is sourced from PubChem (CID 13352514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).