2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol

C99H198O36Si7 — CID 15970578

About 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol

2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol (PubChem CID 15970578) has the molecular formula C99H198O36Si7 and a molecular weight of 2161.24 g/mol. Its IUPAC name is 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol.

Molecular Properties

• Compound Name: 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol
• PubChem CID: 15970578
• Molecular Formula: C99H198O36Si7
• Molecular Weight: 2161.24 g/mol
• Exact Mass: 2159.20
• IUPAC Name: 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol
• SMILES: CO[C@@H]1[C@H](OC)[C@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OCCO)[C@@H](OC)[C@@H](O[C@H]8[C@@H](OC)[C@H](OC)[C@@H](O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O[C@@H]8CO[Si](C)(C)C(C)(C)C)O[C@@H]7CO[Si](C)(C)C(C)(C)C)O[C@@H]6CO[Si](C)(C)C(C)(C)C)O[C@@H]5CO[Si](C)(C)C(C)(C)C)O[C@@H]4CO[Si](C)(C)C(C)(C)C)O[C@@H]3CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C99H198O36Si7/c1-93(2,3)136(35,36)115-51-58-65-72(101-22)80(108-29)87(123-58)131-67-60(53-117-138(39,40)95(7,8)9)125-89(82(110-31)74(67)103-24)133-69-62(55-119-140(43,44)97(13,14)15)127-91(84(112-33)76(69)105-26)135-71-64(57-121-142(47,48)99(19,20)21)128-92(85(113-34)78(71)114-50-49-100)134-70-63(56-120-141(45,46)98(16,17)18)126-90(83(111-32)77(70)106-27)132-68-61(54-118-139(41,42)96(10,11)12)124-88(81(109-30)75(68)104-25)130-66-59(52-116-137(37,38)94(4,5)6)122-86(129-65)79(107-28)73(66)102-23/h58-92,100H,49-57H2,1-48H3/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73+,74+,75+,76+,77-,78+,79-,80-,81+,82-,83+,84-,85-,86-,87-,88-,89-,90-,91-,92-/m1/s1
• InChIKey: IUKJIKSLEWLKHW-FPGCFBABSA-N
• XLogP: 14.50
• TPSA: 343.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.24
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol?

The IUPAC name of 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol (CID 15970578) is 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol.

What is the SMILES notation for 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol?

The canonical SMILES for 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol is CO[C@@H]1[C@H](OC)[C@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OCCO)[C@@H](OC)[C@@H](O[C@H]8[C@@H](OC)[C@H](OC)[C@@H](O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O[C@@H]8CO[Si](C)(C)C(C)(C)C)O[C@@H]7CO[Si](C)(C)C(C)(C)C)O[C@@H]6CO[Si](C)(C)C(C)(C)C)O[C@@H]5CO[Si](C)(C)C(C)(C)C)O[C@@H]4CO[Si](C)(C)C(C)(C)C)O[C@@H]3CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol?

The InChIKey is IUKJIKSLEWLKHW-FPGCFBABSA-N. The full InChI is InChI=1S/C99H198O36Si7/c1-93(2,3)136(35,36)115-51-58-65-72(101-22)80(108-29)87(123-58)131-67-60(53-117-138(39,40)95(7,8)9)125-89(82(110-31)74(67)103-24)133-69-62(55-119-140(43,44)97(13,14)15)127-91(84(112-33)76(69)105-26)135-71-64(57-121-142(47,48)99(19,20)21)128-92(85(113-34)78(71)114-50-49-100)134-70-63(56-120-141(45,46)98(16,17)18)126-90(83(111-32)77(70)106-27)132-68-61(54-118-139(41,42)96(10,11)12)124-88(81(109-30)75(68)104-25)130-66-59(52-116-137(37,38)94(4,5)6)122-86(129-65)79(107-28)73(66)102-23/h58-92,100H,49-57H2,1-48H3/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73+,74+,75+,76+,77-,78+,79-,80-,81+,82-,83+,84-,85-,86-,87-,88-,89-,90-,91-,92-/m1/s1.

What are the key properties of 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol?

2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol has a molecular weight of 2161.24 g/mol, XLogP of 14.50, 37 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40R,41S,42S,43S,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,39,40,41,42,43,44,45,46,47,48,49-tridecamethoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-38-yl]oxy]ethanol is sourced from PubChem (CID 15970578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).