tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane

C14H30OSSi — CID 14009715

IUPACtert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane
SMILESCC(/C=C\SC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSSi/c1-12(10-11-16-13(2,3)4)15-17(8,9)14(5,6)7/h10-12H,1-9H3/b11-10-
InChIKeyZOOROSAQMLGHOB-KHPPLWFESA-N
MW274.55 g/mol
LogP5.44
Rot. Bonds4

About tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane (PubChem CID 14009715) has the molecular formula C14H30OSSi and a molecular weight of 274.55 g/mol. Its IUPAC name is tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane
PubChem CID14009715
Molecular FormulaC14H30OSSi
Molecular Weight274.55 g/mol
Exact Mass274.18
IUPAC Nametert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane
SMILESCC(/C=C\SC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSSi/c1-12(10-11-16-13(2,3)4)15-17(8,9)14(5,6)7/h10-12H,1-9H3/b11-10-
InChIKeyZOOROSAQMLGHOB-KHPPLWFESA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.55
LogP ≤ 55.44
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-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane (CID 14009715) is tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane is CC(/C=C\SC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is ZOOROSAQMLGHOB-KHPPLWFESA-N. The full InChI is InChI=1S/C14H30OSSi/c1-12(10-11-16-13(2,3)4)15-17(8,9)14(5,6)7/h10-12H,1-9H3/b11-10-.
What are the key properties of tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 274.55 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-4-tert-butylsulfanylbut-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 14009715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).