C155H254O34S7Si4 — CID 161067979
[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxymethyl)-2-(3-butylsulfanylpropanoyloxymethyl)butyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-(bicyclo[2.2.2]oct-5-ene-2-carbonyloxymethyl)-2-(3-butylsulfanylpropanoyloxymethyl)butyl] bicyclo[2.2.2]oct-5-ene-2-carboxylate;[2-(3-butylsulfanylpropanoyloxymethyl)-2-(7-oxabicyclo[2.2.1]hept-5-ene-2-carbonyloxymethyl)butyl] 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;trimethoxy-[2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl]silane;trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane;trimethoxy-[3-[2-[3-(2-propylsulfanylethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethylsulfanyl]propyl]silane;trimethoxy-[3-[2-[3-(2-propylsulfanylethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethylsulfanyl]propyl]silane (PubChem CID 161067979) has the molecular formula C155H254O34S7Si4 and a molecular weight of 2998.52 g/mol. Its IUPAC name is [2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxymethyl)-2-(3-butylsulfanylpropanoyloxymethyl)butyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-(bicyclo[2.2.2]oct-5-ene-2-carbonyloxymethyl)-2-(3-butylsulfanylpropanoyloxymethyl)butyl] bicyclo[2.2.2]oct-5-ene-2-carboxylate;[2-(3-butylsulfanylpropanoyloxymethyl)-2-(7-oxabicyclo[2.2.1]hept-5-ene-2-carbonyloxymethyl)butyl] 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;trimethoxy-[2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl]silane;trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane;trimethoxy-[3-[2-[3-(2-propylsulfanylethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethylsulfanyl]propyl]silane;trimethoxy-[3-[2-[3-(2-propylsulfanylethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethylsulfanyl]propyl]silane.
| Compound Name | [2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxymethyl)-2-(3-butylsulfanylpropanoyloxymethyl)butyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-(bicyclo[2.2.2]oct-5-ene-2-carbonyloxymethyl)-2-(3-butylsulfanylpropanoyloxymethyl)butyl] bicyclo[2.2.2]oct-5-ene-2-carboxylate;[2-(3-butylsulfanylpropanoyloxymethyl)-2-(7-oxabicyclo[2.2.1]hept-5-ene-2-carbonyloxymethyl)butyl] 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;trimethoxy-[2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl]silane;trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane;trimethoxy-[3-[2-[3-(2-propylsulfanylethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethylsulfanyl]propyl]silane;trimethoxy-[3-[2-[3-(2-propylsulfanylethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethylsulfanyl]propyl]silane |
|---|---|
| PubChem CID | 161067979 |
| Molecular Formula | C155H254O34S7Si4 |
| Molecular Weight | 2998.52 g/mol |
| Exact Mass | 2995.53 |
| IUPAC Name | [2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxymethyl)-2-(3-butylsulfanylpropanoyloxymethyl)butyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-(bicyclo[2.2.2]oct-5-ene-2-carbonyloxymethyl)-2-(3-butylsulfanylpropanoyloxymethyl)butyl] bicyclo[2.2.2]oct-5-ene-2-carboxylate;[2-(3-butylsulfanylpropanoyloxymethyl)-2-(7-oxabicyclo[2.2.1]hept-5-ene-2-carbonyloxymethyl)butyl] 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;trimethoxy-[2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl]silane;trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane;trimethoxy-[3-[2-[3-(2-propylsulfanylethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethylsulfanyl]propyl]silane;trimethoxy-[3-[2-[3-(2-propylsulfanylethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]ethylsulfanyl]propyl]silane |
| SMILES | CCCC1C2C=CC(C2)C1CC[Si](OC)(OC)OC.CCCC1C2C=CC(O2)C1CC[Si](OC)(OC)OC.CCCCSCCC(=O)OCC(CC)(COC(=O)C1CC2C=CC1C2)COC(=O)C1CC2C=CC1C2.CCCCSCCC(=O)OCC(CC)(COC(=O)C1CC2C=CC1CC2)COC(=O)C1CC2C=CC1CC2.CCCCSCCC(=O)OCC(CC)(COC(=O)C1CC2C=CC1O2)COC(=O)C1CC2C=CC1O2.CCCSCCC1C2C=CC(C2)C1CCSCCC[Si](OC)(OC)OC.CCCSCCC1C2C=CC(O2)C1CCSCCC[Si](OC)(OC)OC |
| InChI | InChI=1S/C31H46O6S.C29H42O6S.C27H38O8S.C20H38O3S2Si.C19H36O4S2Si.C15H28O3Si.C14H26O4Si/c1-3-5-15-38-16-14-28(32)35-19-31(4-2,20-36-29(33)26-17-22-6-10-24(26)11-7-22)21-37-30(34)27-18-23-8-12-25(27)13-9-23;1-3-5-11-36-12-10-26(30)33-17-29(4-2,18-34-27(31)24-15-20-6-8-22(24)13-20)19-35-28(32)25-16-21-7-9-23(25)14-21;1-3-5-11-36-12-10-24(28)31-15-27(4-2,16-32-25(29)20-13-18-6-8-22(20)34-18)17-33-26(30)21-14-19-7-9-23(21)35-19;1-5-11-24-13-9-19-17-7-8-18(16-17)20(19)10-14-25-12-6-15-26(21-2,22-3)23-4;1-5-11-24-13-9-16-17(19-8-7-18(16)23-19)10-14-25-12-6-15-26(20-2,21-3)22-4;1-5-6-14-12-7-8-13(11-12)15(14)9-10-19(16-2,17-3)18-4;1-5-6-11-12(14-8-7-13(11)18-14)9-10-19(15-2,16-3)17-4/h6,8,10,12,22-27H,3-5,7,9,11,13-21H2,1-2H3;6-9,20-25H,3-5,10-19H2,1-2H3;6-9,18-23H,3-5,10-17H2,1-2H3;7-8,17-20H,5-6,9-16H2,1-4H3;7-8,16-19H,5-6,9-15H2,1-4H3;7-8,12-15H,5-6,9-11H2,1-4H3;7-8,11-14H,5-6,9-10H2,1-4H3 |
| InChIKey | UEGZWEAWSRDMBH-UHFFFAOYSA-N |
| XLogP | 31.07 |
| TPSA | 384.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 91 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2998.52 |
| LogP ≤ 5 | 31.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 41 |
| 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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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