2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate

C19H40O5S2Si2 — CID 59620828

IUPAC2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C(C)SC(=S)OCC
InChIInChI=1S/C19H40O5S2Si2/c1-8-10-15-27(4,5)24-28(6,7)16-11-12-21-13-14-23-18(20)17(3)26-19(25)22-9-2/h17H,8-16H2,1-7H3
InChIKeyGFSZKEHILPQGKV-UHFFFAOYSA-N
MW468.83 g/mol
LogP5.61
Rot. Bonds15

About 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate

2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate (PubChem CID 59620828) has the molecular formula C19H40O5S2Si2 and a molecular weight of 468.83 g/mol. Its IUPAC name is 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate.

Molecular Properties

Compound Name2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate
PubChem CID59620828
Molecular FormulaC19H40O5S2Si2
Molecular Weight468.83 g/mol
Exact Mass468.19
IUPAC Name2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C(C)SC(=S)OCC
InChIInChI=1S/C19H40O5S2Si2/c1-8-10-15-27(4,5)24-28(6,7)16-11-12-21-13-14-23-18(20)17(3)26-19(25)22-9-2/h17H,8-16H2,1-7H3
InChIKeyGFSZKEHILPQGKV-UHFFFAOYSA-N
XLogP5.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.83
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[butoxy(dimethyl)silyl]propyl 2-ethoxycarbothioylsulfanylpropanoate
CID 154612070
octadecyl 2-ethoxycarbothioylsulfanylpropanoate
CID 154612071
2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate
CID 140886266
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846
2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate;methane
CID 159570466
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl ethenyl carbonate
CID 58104910
3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate
CID 58507664
2-ethoxycarbothioylsulfanylpropanoic acid
CID 23424291
butyl 2-ethanethioylsulfanylpropanoate
CID 20760685
3-(2-butoxyethoxy)propyl-dimethyl-trimethylsilyloxysilane
CID 140752158
1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol
CID 59187881
2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate
CID 155790031

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate?
The IUPAC name of 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate (CID 59620828) is 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate.
What is the SMILES notation for 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate?
The canonical SMILES for 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate is CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C(C)SC(=S)OCC.
What is the InChIKey of 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate?
The InChIKey is GFSZKEHILPQGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5S2Si2/c1-8-10-15-27(4,5)24-28(6,7)16-11-12-21-13-14-23-18(20)17(3)26-19(25)22-9-2/h17H,8-16H2,1-7H3.
What are the key properties of 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate?
2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate has a molecular weight of 468.83 g/mol, XLogP of 5.61, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate is sourced from PubChem (CID 59620828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).