trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane

C18H32OSSi2 — CID 11068172

IUPACtrimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane
SMILESC/C(=C/CC(CSc1ccccc1)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H32OSSi2/c1-16(21(2,3)4)13-14-17(19-22(5,6)7)15-20-18-11-9-8-10-12-18/h8-13,17H,14-15H2,1-7H3/b16-13-
InChIKeyGTKXJIWNTLHQGY-SSZFMOIBSA-N
MW352.69 g/mol
LogP6.21
Rot. Bonds8

About trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane

trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane (PubChem CID 11068172) has the molecular formula C18H32OSSi2 and a molecular weight of 352.69 g/mol. Its IUPAC name is trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane
PubChem CID11068172
Molecular FormulaC18H32OSSi2
Molecular Weight352.69 g/mol
Exact Mass352.17
IUPAC Nametrimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane
SMILESC/C(=C/CC(CSc1ccccc1)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H32OSSi2/c1-16(21(2,3)4)13-14-17(19-22(5,6)7)15-20-18-11-9-8-10-12-18/h8-13,17H,14-15H2,1-7H3/b16-13-
InChIKeyGTKXJIWNTLHQGY-SSZFMOIBSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 56.21
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 trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane?
The IUPAC name of trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane (CID 11068172) is trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane is C/C(=C/CC(CSc1ccccc1)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane?
The InChIKey is GTKXJIWNTLHQGY-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H32OSSi2/c1-16(21(2,3)4)13-14-17(19-22(5,6)7)15-20-18-11-9-8-10-12-18/h8-13,17H,14-15H2,1-7H3/b16-13-.
What are the key properties of trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane?
trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane has a molecular weight of 352.69 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane is sourced from PubChem (CID 11068172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).