tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane

C16H28OSSi — CID 14807388

IUPACtert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane
SMILESCC(CCSc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSSi/c1-14(17-19(5,6)16(2,3)4)12-13-18-15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3
InChIKeySJKZSNDGNPDERS-UHFFFAOYSA-N
MW296.55 g/mol
LogP5.58
Rot. Bonds6

About tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane

tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane (PubChem CID 14807388) has the molecular formula C16H28OSSi and a molecular weight of 296.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane
PubChem CID14807388
Molecular FormulaC16H28OSSi
Molecular Weight296.55 g/mol
Exact Mass296.16
IUPAC Nametert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane
SMILESCC(CCSc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSSi/c1-14(17-19(5,6)16(2,3)4)12-13-18-15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3
InChIKeySJKZSNDGNPDERS-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.55
LogP ≤ 55.58
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-phenylsulfanylbutan-2-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane (CID 14807388) is tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane is CC(CCSc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane?
The InChIKey is SJKZSNDGNPDERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSSi/c1-14(17-19(5,6)16(2,3)4)12-13-18-15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane?
tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane has a molecular weight of 296.55 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-phenylsulfanylbutan-2-yloxy)silane is sourced from PubChem (CID 14807388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).