tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane

C103H208O35Si8 — CID 21457024

About tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane

tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane (PubChem CID 21457024) has the molecular formula C103H208O35Si8 and a molecular weight of 2231.45 g/mol. Its IUPAC name is tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane
• PubChem CID: 21457024
• Molecular Formula: C103H208O35Si8
• Molecular Weight: 2231.45 g/mol
• Exact Mass: 2229.27
• IUPAC Name: tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane
• 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](O[Si](C)(C)C(C)(C)C)[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](OC)[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/C103H208O35Si8/c1-96(2,3)139(38,39)117-54-61-68-75(104-25)83(111-32)90(125-61)133-70-63(56-119-141(42,43)98(7,8)9)127-92(85(113-34)77(70)106-27)135-72-65(58-121-143(46,47)100(13,14)15)129-94(87(115-36)79(72)108-29)137-74-67(60-123-145(50,51)102(19,20)21)130-95(88(116-37)81(74)138-146(52,53)103(22,23)24)136-73-66(59-122-144(48,49)101(16,17)18)128-93(86(114-35)80(73)109-30)134-71-64(57-120-142(44,45)99(10,11)12)126-91(84(112-33)78(71)107-28)132-69-62(55-118-140(40,41)97(4,5)6)124-89(131-68)82(110-31)76(69)105-26/h61-95H,54-60H2,1-53H3/t61-,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+,93+,94+,95+/m0/s1
• InChIKey: MXSALIANVQPSSP-FBVNKMRNSA-N
• XLogP: 17.51
• TPSA: 323.05 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2231.45
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane (CID 21457024) is tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane 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](O[Si](C)(C)C(C)(C)C)[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](OC)[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 tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane?

The InChIKey is MXSALIANVQPSSP-FBVNKMRNSA-N. The full InChI is InChI=1S/C103H208O35Si8/c1-96(2,3)139(38,39)117-54-61-68-75(104-25)83(111-32)90(125-61)133-70-63(56-119-141(42,43)98(7,8)9)127-92(85(113-34)77(70)106-27)135-72-65(58-121-143(46,47)100(13,14)15)129-94(87(115-36)79(72)108-29)137-74-67(60-123-145(50,51)102(19,20)21)130-95(88(116-37)81(74)138-146(52,53)103(22,23)24)136-73-66(59-122-144(48,49)101(16,17)18)128-93(86(114-35)80(73)109-30)134-71-64(57-120-142(44,45)99(10,11)12)126-91(84(112-33)78(71)107-28)132-69-62(55-118-140(40,41)97(4,5)6)124-89(131-68)82(110-31)76(69)105-26/h61-95H,54-60H2,1-53H3/t61-,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+,93+,94+,95+/m0/s1.

What are the key properties of tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane?

tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane has a molecular weight of 2231.45 g/mol, XLogP of 17.51, 36 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(1R,3R,5S,6R,8R,10S,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30S,31R,33R,35S,36S,37R,38S,39R,40R,41S,42R,43S,44S,45R,46S,47R,48S,49R)-38-[tert-butyl(dimethyl)silyl]oxy-10,15,20,25,30,35-hexakis[[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-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 21457024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).