3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate

C83H154O39S6Si5 — CID 123581674

IUPAC3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate
SMILESCOCCOC(=O)C(C)CSCCC(=O)OCC(COCC(COC(=O)CCSCC(C)C(=O)OCCC[SiH2]OC)(COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC)COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC)(COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC)COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C83H154O39S6Si5/c1-64(76(90)111-32-21-45-129-97-8)50-123-39-26-70(84)117-58-82(59-118-71(85)27-40-124-51-65(2)77(91)112-33-22-46-130(98-9,99-10)100-11,60-119-72(86)28-41-125-52-66(3)78(92)113-34-23-47-131(101-12,102-13)103-14)56-110-57-83(63-122-75(89)31-44-128-55-69(6)81(95)116-38-37-96-7,61-120-73(87)29-42-126-53-67(4)79(93)114-35-24-48-132(104-15,105-16)106-17)62-121-74(88)30-43-127-54-68(5)80(94)115-36-25-49-133(107-18,108-19)109-20/h64-69H,21-63,129H2,1-20H3
InChIKeyWGMASJKGXLKQIS-UHFFFAOYSA-N
MW2108.94 g/mol
LogP8.31
Rot. Bonds88

About 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate

3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate (PubChem CID 123581674) has the molecular formula C83H154O39S6Si5 and a molecular weight of 2108.94 g/mol. Its IUPAC name is 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate.

Molecular Properties

Compound Name3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate
PubChem CID123581674
Molecular FormulaC83H154O39S6Si5
Molecular Weight2108.94 g/mol
Exact Mass2106.72
IUPAC Name3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate
SMILESCOCCOC(=O)C(C)CSCCC(=O)OCC(COCC(COC(=O)CCSCC(C)C(=O)OCCC[SiH2]OC)(COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC)COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC)(COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC)COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C83H154O39S6Si5/c1-64(76(90)111-32-21-45-129-97-8)50-123-39-26-70(84)117-58-82(59-118-71(85)27-40-124-51-65(2)77(91)112-33-22-46-130(98-9,99-10)100-11,60-119-72(86)28-41-125-52-66(3)78(92)113-34-23-47-131(101-12,102-13)103-14)56-110-57-83(63-122-75(89)31-44-128-55-69(6)81(95)116-38-37-96-7,61-120-73(87)29-42-126-53-67(4)79(93)114-35-24-48-132(104-15,105-16)106-17)62-121-74(88)30-43-127-54-68(5)80(94)115-36-25-49-133(107-18,108-19)109-20/h64-69H,21-63,129H2,1-20H3
InChIKeyWGMASJKGXLKQIS-UHFFFAOYSA-N
XLogP8.31
TPSA454.05 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds88
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002108.94
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate with MolForge

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Related Compounds

[3-[3-(2-methylpropylsulfanyl)propanoyloxy]-2-[[3-[3-(2-methylpropylsulfanyl)propanoyloxy]-2,2-bis[3-(2-methylpropylsulfanyl)propanoyloxymethyl]propoxy]methyl]-2-[3-(2-methylpropylsulfanyl)propanoyloxymethyl]propyl] 3-(2-methylpropylsulfanyl)propanoate
CID 140903576
[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate
CID 58971354
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 3-[3-[3-[3-[3-[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propoxy]-2-methyl-3-oxopropyl]sulfanylpropanoyloxy]-2,2-bis[3-[3-[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propoxy]-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate
CID 177077939
2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate
CID 59305886
2-(aziridin-1-yl)ethyl 2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 54298618
[2-[[2,2-bis(3-sulfanylpropanoyloxymethyl)-3-[3-(3-trimethoxysilylpropylcarbamoylsulfanyl)propanoyloxy]propoxy]methyl]-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
CID 140661206
2-methoxyethyl 4-trimethoxysilylbutanoate
CID 58986420
4-[2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoyl]oxybutyl 2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59305878
2-prop-2-enoxyethyl 3-(3-ethoxy-3-oxopropyl)sulfanyl-2-methylpropanoate
CID 138459950
1-O-(2-methoxyethyl) 6-O-(3-trimethoxysilylpropyl) 2-ethyl-5-methyl-3-oxohexanedioate
CID 166503986
[3-(3-ethylsulfanylpropanoyloxy)-2,2-bis(3-ethylsulfanylpropanoyloxymethyl)propyl] 3-ethylsulfanylpropanoate
CID 166909873
[3-(7-methyloctanoyloxy)-2-[[3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propoxy]methyl]-2-(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate
CID 122221266

Frequently Asked Questions

What is the IUPAC name of 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate?
The IUPAC name of 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate (CID 123581674) is 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate.
What is the SMILES notation for 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate?
The canonical SMILES for 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate is COCCOC(=O)C(C)CSCCC(=O)OCC(COCC(COC(=O)CCSCC(C)C(=O)OCCC[SiH2]OC)(COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC)COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC)(COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC)COC(=O)CCSCC(C)C(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate?
The InChIKey is WGMASJKGXLKQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H154O39S6Si5/c1-64(76(90)111-32-21-45-129-97-8)50-123-39-26-70(84)117-58-82(59-118-71(85)27-40-124-51-65(2)77(91)112-33-22-46-130(98-9,99-10)100-11,60-119-72(86)28-41-125-52-66(3)78(92)113-34-23-47-131(101-12,102-13)103-14)56-110-57-83(63-122-75(89)31-44-128-55-69(6)81(95)116-38-37-96-7,61-120-73(87)29-42-126-53-67(4)79(93)114-35-24-48-132(104-15,105-16)106-17)62-121-74(88)30-43-127-54-68(5)80(94)115-36-25-49-133(107-18,108-19)109-20/h64-69H,21-63,129H2,1-20H3.
What are the key properties of 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate?
3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate has a molecular weight of 2108.94 g/mol, XLogP of 8.31, 88 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate is sourced from PubChem (CID 123581674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).