tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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

C140H224O35Si7 — CID 14376888

About tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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 14376888) has the molecular formula C140H224O35Si7 and a molecular weight of 2663.90 g/mol. Its IUPAC name is tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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: 14376888
• Molecular Formula: C140H224O35Si7
• Molecular Weight: 2663.90 g/mol
• Exact Mass: 2661.41
• IUPAC Name: tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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: COC1C2OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(OC6OC(CO[Si](C)(C)C(C)(C)C)C(OC7OC(CO[Si](C)(C)C(C)(C)C)C(OC8OC(CO[Si](C)(C)C(C)(C)C)C(OC(OC2CO[Si](C)(C)C(C)(C)C)C1OCc1ccccc1)C(OC)C8OCc1ccccc1)C(OC)C7OCc1ccccc1)C(OC)C6OCc1ccccc1)C(OC)C5OCc1ccccc1)C(OC)C4OCc1ccccc1)C(OC)C3OCc1ccccc1
• InChI: InChI=1S/C140H224O35Si7/c1-134(2,3)176(29,30)155-85-99-106-113(141-22)120(148-78-92-64-50-43-51-65-92)127(162-99)170-107-100(86-156-177(31,32)135(4,5)6)164-129(122(114(107)142-23)150-80-94-68-54-45-55-69-94)172-109-102(88-158-179(35,36)137(10,11)12)166-131(124(116(109)144-25)152-82-96-72-58-47-59-73-96)174-111-104(90-160-181(39,40)139(16,17)18)168-133(126(118(111)146-27)154-84-98-76-62-49-63-77-98)175-112-105(91-161-182(41,42)140(19,20)21)167-132(125(119(112)147-28)153-83-97-74-60-48-61-75-97)173-110-103(89-159-180(37,38)138(13,14)15)165-130(123(117(110)145-26)151-81-95-70-56-46-57-71-95)171-108-101(87-157-178(33,34)136(7,8)9)163-128(169-106)121(115(108)143-24)149-79-93-66-52-44-53-67-93/h43-77,99-133H,78-91H2,1-42H3
• InChIKey: GDEFILILEPMQBG-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 323.05 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 49
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2663.90
LogP ≤ 5	26.13
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-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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 14376888) is tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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 COC1C2OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(OC6OC(CO[Si](C)(C)C(C)(C)C)C(OC7OC(CO[Si](C)(C)C(C)(C)C)C(OC8OC(CO[Si](C)(C)C(C)(C)C)C(OC(OC2CO[Si](C)(C)C(C)(C)C)C1OCc1ccccc1)C(OC)C8OCc1ccccc1)C(OC)C7OCc1ccccc1)C(OC)C6OCc1ccccc1)C(OC)C5OCc1ccccc1)C(OC)C4OCc1ccccc1)C(OC)C3OCc1ccccc1.

What is the InChIKey of tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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 GDEFILILEPMQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H224O35Si7/c1-134(2,3)176(29,30)155-85-99-106-113(141-22)120(148-78-92-64-50-43-51-65-92)127(162-99)170-107-100(86-156-177(31,32)135(4,5)6)164-129(122(114(107)142-23)150-80-94-68-54-45-55-69-94)172-109-102(88-158-179(35,36)137(10,11)12)166-131(124(116(109)144-25)152-82-96-72-58-47-59-73-96)174-111-104(90-160-181(39,40)139(16,17)18)168-133(126(118(111)146-27)154-84-98-76-62-49-63-77-98)175-112-105(91-161-182(41,42)140(19,20)21)167-132(125(119(112)147-28)153-83-97-74-60-48-61-75-97)173-110-103(89-159-180(37,38)138(13,14)15)165-130(123(117(110)145-26)151-81-95-70-56-46-57-71-95)171-108-101(87-157-178(33,34)136(7,8)9)163-128(169-106)121(115(108)143-24)149-79-93-66-52-44-53-67-93/h43-77,99-133H,78-91H2,1-42H3.

What are the key properties of tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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 2663.90 g/mol, XLogP of 26.13, 49 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-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 14376888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).