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

C96H165N2O19PS4Si10 — CID 158085194

IUPAC3-[[[[[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
SMILESC.C.C=CN1CCCC1=O.CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)c1ccc(CCC(SC(=S)OCC)N2CCCC2=O)cc1.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.Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1
InChIInChI=1S/C34H65NO8S2Si5.C28H56O7S2Si5.C26H27O3P.C6H9NO.2CH4/c1-13-15-27-46(3,4)40-48(7,8)42-50(11,12)43-49(9,10)41-47(5,6)28-17-26-39-33(37)30-22-19-29(20-23-30)21-24-32(45-34(44)38-14-2)35-25-16-18-31(35)36;1-13-15-22-38(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;1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6;1-2-7-5-3-4-6(7)8;;/h19-20,22-23,32H,13-18,21,24-28H2,1-12H3;17-20H,13-16,21-24H2,1-12H3;7-15H,1-6H3;2H,1,3-5H2;2*1H4
InChIKeyFNKVDSPWJZMXLL-UHFFFAOYSA-N
MW2091.47 g/mol
LogP26.95
Rot. Bonds47

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-[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

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 (PubChem CID 158085194) has the molecular formula C96H165N2O19PS4Si10 and a molecular weight of 2091.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[[[[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
PubChem CID158085194
Molecular FormulaC96H165N2O19PS4Si10
Molecular Weight2091.47 g/mol
Exact Mass2088.83
IUPAC Name3-[[[[[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
SMILESC.C.C=CN1CCCC1=O.CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)c1ccc(CCC(SC(=S)OCC)N2CCCC2=O)cc1.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.Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1
InChIInChI=1S/C34H65NO8S2Si5.C28H56O7S2Si5.C26H27O3P.C6H9NO.2CH4/c1-13-15-27-46(3,4)40-48(7,8)42-50(11,12)43-49(9,10)41-47(5,6)28-17-26-39-33(37)30-22-19-29(20-23-30)21-24-32(45-34(44)38-14-2)35-25-16-18-31(35)36;1-13-15-22-38(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;1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6;1-2-7-5-3-4-6(7)8;;/h19-20,22-23,32H,13-18,21,24-28H2,1-12H3;17-20H,13-16,21-24H2,1-12H3;7-15H,1-6H3;2H,1,3-5H2;2*1H4
InChIKeyFNKVDSPWJZMXLL-UHFFFAOYSA-N
XLogP26.95
TPSA236.73 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds47
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.47
LogP ≤ 526.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 4-(ethoxycarbothioylsulfanylmethyl)benzoate
CID 58507664
CID 160980256
CID 160980256
1-ethenylpyrrolidin-2-one;5-methylbenzene-1,3-dicarboxylic acid
CID 159023833
ethyl 4-(2-phenoxyethoxycarbothioylsulfanylmethyl)benzoate
CID 134502710
4-O-[[3,5-dimethyl-4-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methyl] 1-O-(2-prop-2-enoyloxyethyl) butanedioate
CID 118231427
2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate
CID 59620828
1-[3-[[[butyl(dimethyl)silyl]methoxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol;2-methoxyethyl 4-ethylbenzoate
CID 159715562
butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
CID 35144060
4-[4-[2-[3-[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-3-carboxyphenyl]-2-[2-[3-[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid
CID 159853491
butyl 4-(2-benzylsulfanylethylcarbamoylamino)benzoate
CID 3872769
O-ethyl [5-cyano-5-methyl-1,3-bis(2-oxopyrrolidin-1-yl)hexyl]sulfanylmethanethioate
CID 118328975
3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate
CID 58085407

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;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?
The IUPAC name 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-[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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C=CN1CCCC1=O.CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)c1ccc(CCC(SC(=S)OCC)N2CCCC2=O)cc1.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.Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1.
What is the InChIKey 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-[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?
The InChIKey is FNKVDSPWJZMXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H65NO8S2Si5.C28H56O7S2Si5.C26H27O3P.C6H9NO.2CH4/c1-13-15-27-46(3,4)40-48(7,8)42-50(11,12)43-49(9,10)41-47(5,6)28-17-26-39-33(37)30-22-19-29(20-23-30)21-24-32(45-34(44)38-14-2)35-25-16-18-31(35)36;1-13-15-22-38(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;1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6;1-2-7-5-3-4-6(7)8;;/h19-20,22-23,32H,13-18,21,24-28H2,1-12H3;17-20H,13-16,21-24H2,1-12H3;7-15H,1-6H3;2H,1,3-5H2;2*1H4.
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-[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?
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 has a molecular weight of 2091.47 g/mol, XLogP of 26.95, 47 rotatable bonds, 0 hydrogen bond donors, and 23 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;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 is sourced from PubChem (CID 158085194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).