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

C88H116O16Si12 — CID 102124908

IUPACdimethyl-[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
SMILESC[Si](C)(CCC1CCCC2OC12)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[Si](C)(C)CCC3CCCC4OC34)(c3ccccc3)O[Si](c3ccccc3)(O1)[Si]1(c3ccccc3)O[Si](O[Si](C)(C)CCC3CCCC4OC34)(c3ccccc3)O[Si]2(c2ccccc2)O[Si](O[Si](C)(C)CCC2CCCC3OC23)(c2ccccc2)O1
InChIInChI=1S/C88H116O16Si12/c1-105(2,65-61-69-37-33-57-81-85(69)89-81)93-109(73-41-17-9-18-42-73)97-113(77-49-25-13-26-50-77)99-110(74-43-19-10-20-44-74,94-106(3,4)66-62-70-38-34-58-82-86(70)90-82)100-114(98-109,78-51-27-14-28-52-78)116(80-55-31-16-32-56-80)102-111(75-45-21-11-22-46-75,95-107(5,6)67-63-71-39-35-59-83-87(71)91-83)101-115(113,79-53-29-15-30-54-79)103-112(104-116,76-47-23-12-24-48-76)96-108(7,8)68-64-72-40-36-60-84-88(72)92-84/h9-32,41-56,69-72,81-88H,33-40,57-68H2,1-8H3
InChIKeyPXJZIZUFGHPUEV-UHFFFAOYSA-N
MW1766.91 g/mol
LogP13.82
Rot. Bonds28

About 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

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 (PubChem CID 102124908) has the molecular formula C88H116O16Si12 and a molecular weight of 1766.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedimethyl-[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
PubChem CID102124908
Molecular FormulaC88H116O16Si12
Molecular Weight1766.91 g/mol
Exact Mass1764.55
IUPAC Namedimethyl-[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
SMILESC[Si](C)(CCC1CCCC2OC12)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[Si](C)(C)CCC3CCCC4OC34)(c3ccccc3)O[Si](c3ccccc3)(O1)[Si]1(c3ccccc3)O[Si](O[Si](C)(C)CCC3CCCC4OC34)(c3ccccc3)O[Si]2(c2ccccc2)O[Si](O[Si](C)(C)CCC2CCCC3OC23)(c2ccccc2)O1
InChIInChI=1S/C88H116O16Si12/c1-105(2,65-61-69-37-33-57-81-85(69)89-81)93-109(73-41-17-9-18-42-73)97-113(77-49-25-13-26-50-77)99-110(74-43-19-10-20-44-74,94-106(3,4)66-62-70-38-34-58-82-86(70)90-82)100-114(98-109,78-51-27-14-28-52-78)116(80-55-31-16-32-56-80)102-111(75-45-21-11-22-46-75,95-107(5,6)67-63-71-39-35-59-83-87(71)91-83)101-115(113,79-53-29-15-30-54-79)103-112(104-116,76-47-23-12-24-48-76)96-108(7,8)68-64-72-40-36-60-84-88(72)92-84/h9-32,41-56,69-72,81-88H,33-40,57-68H2,1-8H3
InChIKeyPXJZIZUFGHPUEV-UHFFFAOYSA-N
XLogP13.82
TPSA160.88 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001766.91
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane
CID 101123581
7-oxabicyclo[4.1.0]heptan-2-ylmethanol
CID 18506442
(1S,6S)-2-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
CID 10630730
CID 59344059
CID 59344059
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
2-[dimethoxy(methyl)silyl]ethyl-[[11-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-14,17-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy]-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]-dimethylsilane
CID 158661600
(1R,2R,6R)-2-trityloxy-7-oxabicyclo[4.1.0]heptane
CID 86667163
(2R,6R)-2-trityloxy-7-oxabicyclo[4.1.0]heptane
CID 88896051
tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane
CID 59755227
[(1S,2R,4R)-5-oxabicyclo[2.1.0]pentan-2-yl]methyl benzoate
CID 14796869
[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
[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(CCC1CCCC2OC12)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[Si](C)(C)CCC3CCCC4OC34)(c3ccccc3)O[Si](c3ccccc3)(O1)[Si]1(c3ccccc3)O[Si](O[Si](C)(C)CCC3CCCC4OC34)(c3ccccc3)O[Si]2(c2ccccc2)O[Si](O[Si](C)(C)CCC2CCCC3OC23)(c2ccccc2)O1.
What is the InChIKey of 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?
The InChIKey is PXJZIZUFGHPUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H116O16Si12/c1-105(2,65-61-69-37-33-57-81-85(69)89-81)93-109(73-41-17-9-18-42-73)97-113(77-49-25-13-26-50-77)99-110(74-43-19-10-20-44-74,94-106(3,4)66-62-70-38-34-58-82-86(70)90-82)100-114(98-109,78-51-27-14-28-52-78)116(80-55-31-16-32-56-80)102-111(75-45-21-11-22-46-75,95-107(5,6)67-63-71-39-35-59-83-87(71)91-83)101-115(113,79-53-29-15-30-54-79)103-112(104-116,76-47-23-12-24-48-76)96-108(7,8)68-64-72-40-36-60-84-88(72)92-84/h9-32,41-56,69-72,81-88H,33-40,57-68H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1766.91 g/mol, XLogP of 13.82, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102124908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).