3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol

C31H50F6O4S2Si5 — CID 140854483

IUPAC3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol
SMILESC=C[Si](C)(O[Si](CCC(F)(F)F)(CCC(F)(F)F)O[Si](C)(C)CCCS)O[Si](O[Si](C)(C)CCCS)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H50F6O4S2Si5/c1-7-46(6,40-47(26-20-30(32,33)34,27-21-31(35,36)37)38-44(2,3)24-14-22-42)41-48(28-16-10-8-11-17-28,29-18-12-9-13-19-29)39-45(4,5)25-15-23-43/h7-13,16-19,42-43H,1,14-15,20-27H2,2-6H3
InChIKeyIOGOERUUJXBKDO-UHFFFAOYSA-N
MW805.29 g/mol
LogP9.50
Rot. Bonds21

About 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol

3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol (PubChem CID 140854483) has the molecular formula C31H50F6O4S2Si5 and a molecular weight of 805.29 g/mol. Its IUPAC name is 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol.

Molecular Properties

Compound Name3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol
PubChem CID140854483
Molecular FormulaC31H50F6O4S2Si5
Molecular Weight805.29 g/mol
Exact Mass804.19
IUPAC Name3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol
SMILESC=C[Si](C)(O[Si](CCC(F)(F)F)(CCC(F)(F)F)O[Si](C)(C)CCCS)O[Si](O[Si](C)(C)CCCS)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H50F6O4S2Si5/c1-7-46(6,40-47(26-20-30(32,33)34,27-21-31(35,36)37)38-44(2,3)24-14-22-42)41-48(28-16-10-8-11-17-28,29-18-12-9-13-19-29)39-45(4,5)25-15-23-43/h7-13,16-19,42-43H,1,14-15,20-27H2,2-6H3
InChIKeyIOGOERUUJXBKDO-UHFFFAOYSA-N
XLogP9.50
TPSA36.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.29
LogP ≤ 59.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol?
The IUPAC name of 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol (CID 140854483) is 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol.
What is the SMILES notation for 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol?
The canonical SMILES for 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol is C=C[Si](C)(O[Si](CCC(F)(F)F)(CCC(F)(F)F)O[Si](C)(C)CCCS)O[Si](O[Si](C)(C)CCCS)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol?
The InChIKey is IOGOERUUJXBKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50F6O4S2Si5/c1-7-46(6,40-47(26-20-30(32,33)34,27-21-31(35,36)37)38-44(2,3)24-14-22-42)41-48(28-16-10-8-11-17-28,29-18-12-9-13-19-29)39-45(4,5)25-15-23-43/h7-13,16-19,42-43H,1,14-15,20-27H2,2-6H3.
What are the key properties of 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol?
3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol has a molecular weight of 805.29 g/mol, XLogP of 9.50, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[[[dimethyl(3-sulfanylpropyl)silyl]oxy-diphenylsilyl]oxy-ethenyl-methylsilyl]oxy-bis(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propane-1-thiol is sourced from PubChem (CID 140854483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).