ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane

C47H90O12Si10 — CID 4079505

IUPACethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane
SMILESC=C[Si](C)(C)O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O[Si](C)(C)C=C)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O[Si](C)(C)C=C)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3
InChIInChI=1S/C47H90O12Si10/c1-10-60(4,5)48-63(41-27-13-14-28-41)51-66(44-33-19-20-34-44)53-64(42-29-15-16-30-42,49-61(6,7)11-2)55-68(46-37-23-24-38-46)56-65(43-31-17-18-32-43,50-62(8,9)12-3)54-67(52-63,45-35-21-22-36-45)58-69(57-66,59-68)47-39-25-26-40-47/h10-12,41-47H,1-3,13-40H2,4-9H3
InChIKeyHDLXDTOWSPLCLW-UHFFFAOYSA-N
MW1128.08 g/mol
LogP14.20
Rot. Bonds16

About ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane

ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane (PubChem CID 4079505) has the molecular formula C47H90O12Si10 and a molecular weight of 1128.08 g/mol. Its IUPAC name is ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nameethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane
PubChem CID4079505
Molecular FormulaC47H90O12Si10
Molecular Weight1128.08 g/mol
Exact Mass1126.41
IUPAC Nameethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane
SMILESC=C[Si](C)(C)O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O[Si](C)(C)C=C)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O[Si](C)(C)C=C)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3
InChIInChI=1S/C47H90O12Si10/c1-10-60(4,5)48-63(41-27-13-14-28-41)51-66(44-33-19-20-34-44)53-64(42-29-15-16-30-42,49-61(6,7)11-2)55-68(46-37-23-24-38-46)56-65(43-31-17-18-32-43,50-62(8,9)12-3)54-67(52-63,45-35-21-22-36-45)58-69(57-66,59-68)47-39-25-26-40-47/h10-12,41-47H,1-3,13-40H2,4-9H3
InChIKeyHDLXDTOWSPLCLW-UHFFFAOYSA-N
XLogP14.20
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001128.08
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane?
The IUPAC name of ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane (CID 4079505) is ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane?
The canonical SMILES for ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane is C=C[Si](C)(C)O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O[Si](C)(C)C=C)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O[Si](C)(C)C=C)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3.
What is the InChIKey of ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane?
The InChIKey is HDLXDTOWSPLCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H90O12Si10/c1-10-60(4,5)48-63(41-27-13-14-28-41)51-66(44-33-19-20-34-44)53-64(42-29-15-16-30-42,49-61(6,7)11-2)55-68(46-37-23-24-38-46)56-65(43-31-17-18-32-43,50-62(8,9)12-3)54-67(52-63,45-35-21-22-36-45)58-69(57-66,59-68)47-39-25-26-40-47/h10-12,41-47H,1-3,13-40H2,4-9H3.
What are the key properties of ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane?
ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane has a molecular weight of 1128.08 g/mol, XLogP of 14.20, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis[[ethenyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 4079505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).