3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate

C28H56O7S2Si5 — CID 58507664

IUPAC3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)c1ccc(CSC(=S)OCC)cc1
InChIInChI=1S/C28H56O7S2Si5/c1-13-15-22-38(3,4)32-40(7,8)34-42(11,12)35-41(9,10)33-39(5,6)23-16-21-31-27(29)26-19-17-25(18-20-26)24-37-28(36)30-14-2/h17-20H,13-16,21-24H2,1-12H3
InChIKeyOZRAGMKPVZHMQP-UHFFFAOYSA-N
MW709.31 g/mol
LogP9.17
Rot. Bonds19

About 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate

3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate (PubChem CID 58507664) has the molecular formula C28H56O7S2Si5 and a molecular weight of 709.31 g/mol. Its IUPAC name is 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate.

Molecular Properties

Compound Name3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate
PubChem CID58507664
Molecular FormulaC28H56O7S2Si5
Molecular Weight709.31 g/mol
Exact Mass708.23
IUPAC Name3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)c1ccc(CSC(=S)OCC)cc1
InChIInChI=1S/C28H56O7S2Si5/c1-13-15-22-38(3,4)32-40(7,8)34-42(11,12)35-41(9,10)33-39(5,6)23-16-21-31-27(29)26-19-17-25(18-20-26)24-37-28(36)30-14-2/h17-20H,13-16,21-24H2,1-12H3
InChIKeyOZRAGMKPVZHMQP-UHFFFAOYSA-N
XLogP9.17
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.31
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

Analyze 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate with MolForge

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Related Compounds

CID 160980256
CID 160980256
3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate;3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-[3-ethoxycarbothioylsulfanyl-3-(2-oxopyrrolidin-1-yl)propyl]benzoate;1-ethenylpyrrolidin-2-one;methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 158085194
ethyl 4-(2-phenoxyethoxycarbothioylsulfanylmethyl)benzoate
CID 134502710
1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate
CID 159715562
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl 4-(2-oxoethyl)benzoate
CID 89220146
butyl 4-(hydroxymethyl)benzoate
CID 54464600
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
azane;butyl 4-aminobenzoate
CID 175088613
bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
CID 101081557
2-hydroxyethyl 4-(methylsulfanylcarbothioylsulfanylmethyl)benzoate
CID 87163804

Frequently Asked Questions

What is the IUPAC name of 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate?
The IUPAC name of 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate (CID 58507664) is 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate.
What is the SMILES notation for 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate?
The canonical SMILES for 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)c1ccc(CSC(=S)OCC)cc1.
What is the InChIKey of 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate?
The InChIKey is OZRAGMKPVZHMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O7S2Si5/c1-13-15-22-38(3,4)32-40(7,8)34-42(11,12)35-41(9,10)33-39(5,6)23-16-21-31-27(29)26-19-17-25(18-20-26)24-37-28(36)30-14-2/h17-20H,13-16,21-24H2,1-12H3.
What are the key properties of 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate?
3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate has a molecular weight of 709.31 g/mol, XLogP of 9.17, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate is sourced from PubChem (CID 58507664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).