3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol

C46H120O10S3Si13 — CID 155627965

About 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol

3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol (PubChem CID 155627965) has the molecular formula C46H120O10S3Si13 and a molecular weight of 1294.77 g/mol. Its IUPAC name is 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol.

Molecular Properties

• Compound Name: 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol
• PubChem CID: 155627965
• Molecular Formula: C46H120O10S3Si13
• Molecular Weight: 1294.77 g/mol
• Exact Mass: 1292.50
• IUPAC Name: 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol
• SMILES: CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCSCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCS)O[Si](C)(CCCSCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C46H120O10S3Si13/c1-28-30-40-62(9,10)49-68(21,22)51-64(13,14)45-38-58-36-33-43-70(25,53-66(17,18)47-60(3,4)5)55-72(27,42-32-35-57)56-71(26,54-67(19,20)48-61(6,7)8)44-34-37-59-39-46-65(15,16)52-69(23,24)50-63(11,12)41-31-29-2/h57H,28-46H2,1-27H3
• InChIKey: VWKLPKGPMJLGPL-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 92.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 43
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1294.77
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol?

The IUPAC name of 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol (CID 155627965) is 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol.

What is the SMILES notation for 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol?

The canonical SMILES for 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCSCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCS)O[Si](C)(CCCSCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol?

The InChIKey is VWKLPKGPMJLGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H120O10S3Si13/c1-28-30-40-62(9,10)49-68(21,22)51-64(13,14)45-38-58-36-33-43-70(25,53-66(17,18)47-60(3,4)5)55-72(27,42-32-35-57)56-71(26,54-67(19,20)48-61(6,7)8)44-34-37-59-39-46-65(15,16)52-69(23,24)50-63(11,12)41-31-29-2/h57H,28-46H2,1-27H3.

What are the key properties of 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol?

3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol has a molecular weight of 1294.77 g/mol, XLogP of 17.83, 43 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol is sourced from PubChem (CID 155627965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).