[4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane

C90H124O18Si12 — CID 123605447

IUPAC[4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[Si](O)(O[Si]1(c2ccccc2)OCO[Si](O[Si](C)(C)CCC2CCC3OC3C2)(c2ccccc2)O[SiH](c2ccccc2)O[Si](O[Si](C)(C)CCC2CCC3OC3C2)(c2ccccc2)O[SiH](c2ccccc2)OC1O[Si](O[SiH2]c1ccccc1)(O[Si](C)(C)CCC1CCC2OC2C1)c1ccccc1)c1ccccc1
InChIInChI=1S/C90H124O18Si12/c1-112(2,61-57-70-49-53-82-86(65-70)94-82)104-117(91,78-41-25-13-26-42-78)108-116(77-39-23-12-24-40-77)90(99-119(80-45-29-15-30-46-80,100-109-74-33-17-9-18-34-74)106-114(5,6)63-59-72-51-55-84-88(67-72)96-84)98-110(75-35-19-10-20-36-75)101-120(81-47-31-16-32-48-81,107-115(7,8)64-60-73-52-56-85-89(68-73)97-85)103-111(76-37-21-11-22-38-76)102-118(93-69-92-116,79-43-27-14-28-44-79)105-113(3,4)62-58-71-50-54-83-87(66-71)95-83/h9-48,70-73,82-91,110-111H,49-69,109H2,1-8H3
InChIKeyVHZIKARWCWMHRS-UHFFFAOYSA-N
MW1831.00 g/mol
LogP12.08
Rot. Bonds34

About [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane

[4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane (PubChem CID 123605447) has the molecular formula C90H124O18Si12 and a molecular weight of 1831.00 g/mol. Its IUPAC name is [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane.

Molecular Properties

Compound Name[4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane
PubChem CID123605447
Molecular FormulaC90H124O18Si12
Molecular Weight1831.00 g/mol
Exact Mass1828.60
IUPAC Name[4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[Si](O)(O[Si]1(c2ccccc2)OCO[Si](O[Si](C)(C)CCC2CCC3OC3C2)(c2ccccc2)O[SiH](c2ccccc2)O[Si](O[Si](C)(C)CCC2CCC3OC3C2)(c2ccccc2)O[SiH](c2ccccc2)OC1O[Si](O[SiH2]c1ccccc1)(O[Si](C)(C)CCC1CCC2OC2C1)c1ccccc1)c1ccccc1
InChIInChI=1S/C90H124O18Si12/c1-112(2,61-57-70-49-53-82-86(65-70)94-82)104-117(91,78-41-25-13-26-42-78)108-116(77-39-23-12-24-40-77)90(99-119(80-45-29-15-30-46-80,100-109-74-33-17-9-18-34-74)106-114(5,6)63-59-72-51-55-84-88(67-72)96-84)98-110(75-35-19-10-20-36-75)101-120(81-47-31-16-32-48-81,107-115(7,8)64-60-73-52-56-85-89(68-73)97-85)103-111(76-37-21-11-22-38-76)102-118(93-69-92-116,79-43-27-14-28-44-79)105-113(3,4)62-58-71-50-54-83-87(66-71)95-83/h9-48,70-73,82-91,110-111H,49-69,109H2,1-8H3
InChIKeyVHZIKARWCWMHRS-UHFFFAOYSA-N
XLogP12.08
TPSA190.34 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001831.00
LogP ≤ 512.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane with MolForge

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Related Compounds

tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane
CID 59755227
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[dimethyl(7-oxabicyclo[4.1.0]heptan-3-yl)silyl]oxy-phenylsilyl]oxy-phenyl-trimethylsilyloxysilane
CID 59846975
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;trimethoxy(phenyl)silane
CID 160925202
CID 59344059
CID 59344059
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane
CID 140841095
bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 102070616
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilane
CID 101151102
diethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilane;dimethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 160590157
dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-[[9,12,15-tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]silyl]oxy]-1,2,4,6,7,9,12,15-octakis-phenyl-3,5,8,10,11,13,14,16-octaoxa-1,2,4,6,7,9,12,15-octasilatricyclo[5.3.3.32,6]hexadecan-4-yl]oxy]silane
CID 102124908
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;2-methyl-2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]oxasilinane
CID 161490314
hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 140784911

Frequently Asked Questions

What is the IUPAC name of [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane?
The IUPAC name of [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane (CID 123605447) is [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane.
What is the SMILES notation for [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane?
The canonical SMILES for [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane is C[Si](C)(CCC1CCC2OC2C1)O[Si](O)(O[Si]1(c2ccccc2)OCO[Si](O[Si](C)(C)CCC2CCC3OC3C2)(c2ccccc2)O[SiH](c2ccccc2)O[Si](O[Si](C)(C)CCC2CCC3OC3C2)(c2ccccc2)O[SiH](c2ccccc2)OC1O[Si](O[SiH2]c1ccccc1)(O[Si](C)(C)CCC1CCC2OC2C1)c1ccccc1)c1ccccc1.
What is the InChIKey of [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane?
The InChIKey is VHZIKARWCWMHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H124O18Si12/c1-112(2,61-57-70-49-53-82-86(65-70)94-82)104-117(91,78-41-25-13-26-42-78)108-116(77-39-23-12-24-40-77)90(99-119(80-45-29-15-30-46-80,100-109-74-33-17-9-18-34-74)106-114(5,6)63-59-72-51-55-84-88(67-72)96-84)98-110(75-35-19-10-20-36-75)101-120(81-47-31-16-32-48-81,107-115(7,8)64-60-73-52-56-85-89(68-73)97-85)103-111(76-37-21-11-22-38-76)102-118(93-69-92-116,79-43-27-14-28-44-79)105-113(3,4)62-58-71-50-54-83-87(66-71)95-83/h9-48,70-73,82-91,110-111H,49-69,109H2,1-8H3.
What are the key properties of [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane?
[4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane has a molecular weight of 1831.00 g/mol, XLogP of 12.08, 34 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4,8-bis[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-12-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-hydroxy-phenylsilyl]oxy-2,4,6,8,12-pentakis-phenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,12-pentasilacyclotridec-13-yl]oxy-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-phenyl-phenylsilyloxysilane is sourced from PubChem (CID 123605447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).