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

C98H196O35Si7 — CID 71317199

IUPACtert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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
SMILESCOC1[C@@H](OC)[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]4O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]6O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]7O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O2)C(OC)[C@H]7OC)C(OC)[C@H]6OC)[C@@H](OC)[C@H]5OC)[C@@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C98H196O35Si7/c1-92(2,3)134(36,37)113-50-57-64-71(99-22)78(106-29)85(120-57)128-65-58(51-114-135(38,39)93(4,5)6)122-87(80(108-31)72(65)100-23)130-67-60(53-116-137(42,43)95(10,11)12)124-89(82(110-33)74(67)102-25)132-69-62(55-118-139(46,47)97(16,17)18)126-91(84(112-35)76(69)104-27)133-70-63(56-119-140(48,49)98(19,20)21)125-90(83(111-34)77(70)105-28)131-68-61(54-117-138(44,45)96(13,14)15)123-88(81(109-32)75(68)103-26)129-66-59(52-115-136(40,41)94(7,8)9)121-86(127-64)79(107-30)73(66)101-24/h57-91H,50-56H2,1-49H3/t57-,58-,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-/m1/s1
InChIKeyYJLSGORJJHKFEN-ZLXNXGSVSA-N
MW2131.21 g/mol
LogP15.13
Rot. Bonds35

About tert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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 71317199) has the molecular formula C98H196O35Si7 and a molecular weight of 2131.21 g/mol. Its IUPAC name is tert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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 Nametert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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 CID71317199
Molecular FormulaC98H196O35Si7
Molecular Weight2131.21 g/mol
Exact Mass2129.19
IUPAC Nametert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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
SMILESCOC1[C@@H](OC)[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]4O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]6O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]7O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O2)C(OC)[C@H]7OC)C(OC)[C@H]6OC)[C@@H](OC)[C@H]5OC)[C@@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C98H196O35Si7/c1-92(2,3)134(36,37)113-50-57-64-71(99-22)78(106-29)85(120-57)128-65-58(51-114-135(38,39)93(4,5)6)122-87(80(108-31)72(65)100-23)130-67-60(53-116-137(42,43)95(10,11)12)124-89(82(110-33)74(67)102-25)132-69-62(55-118-139(46,47)97(16,17)18)126-91(84(112-35)76(69)104-27)133-70-63(56-119-140(48,49)98(19,20)21)125-90(83(111-34)77(70)105-28)131-68-61(54-117-138(44,45)96(13,14)15)123-88(81(109-32)75(68)103-26)129-66-59(52-115-136(40,41)94(7,8)9)121-86(127-64)79(107-30)73(66)101-24/h57-91H,50-56H2,1-49H3/t57-,58-,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-/m1/s1
InChIKeyYJLSGORJJHKFEN-ZLXNXGSVSA-N
XLogP15.13
TPSA323.05 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002131.21
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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 71317199) is tert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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 COC1[C@@H](OC)[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]4O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]6O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@H]7O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O2)C(OC)[C@H]7OC)C(OC)[C@H]6OC)[C@@H](OC)[C@H]5OC)[C@@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC)[C@@H](OC)[C@H]1OC.
What is the InChIKey of tert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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 YJLSGORJJHKFEN-ZLXNXGSVSA-N. The full InChI is InChI=1S/C98H196O35Si7/c1-92(2,3)134(36,37)113-50-57-64-71(99-22)78(106-29)85(120-57)128-65-58(51-114-135(38,39)93(4,5)6)122-87(80(108-31)72(65)100-23)130-67-60(53-116-137(42,43)95(10,11)12)124-89(82(110-33)74(67)102-25)132-69-62(55-118-139(46,47)97(16,17)18)126-91(84(112-35)76(69)104-27)133-70-63(56-119-140(48,49)98(19,20)21)125-90(83(111-34)77(70)105-28)131-68-61(54-117-138(44,45)96(13,14)15)123-88(81(109-32)75(68)103-26)129-66-59(52-115-136(40,41)94(7,8)9)121-86(127-64)79(107-30)73(66)101-24/h57-91H,50-56H2,1-49H3/t57-,58-,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-/m1/s1.
What are the key properties of tert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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 2131.21 g/mol, XLogP of 15.13, 35 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,45R,47R,49R)-10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-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 71317199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).