5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione

C31H72O24Si16 — CID 90862684

IUPAC5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione
SMILESCO[Si](C)(O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C31H72O24Si16/c1-34-63(23,27-24-25-28-29(26-27)31(33)35-30(28)32)43-71-53-68(40-60(14,15)16)47-65(37-57(5,6)7)44-64(36-56(2,3)4)45-66(49-68,38-58(8,9)10)51-70(55-71,42-62(20,21)22)52-67(46-64,39-59(11,12)13)50-69(48-65,54-71)41-61(17,18)19/h24-26H,1-23H3
InChIKeyTZLIVJIEJHZQCE-UHFFFAOYSA-N
MW1278.27 g/mol
LogP5.65
Rot. Bonds18

About 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione

5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione (PubChem CID 90862684) has the molecular formula C31H72O24Si16 and a molecular weight of 1278.27 g/mol. Its IUPAC name is 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione
PubChem CID90862684
Molecular FormulaC31H72O24Si16
Molecular Weight1278.27 g/mol
Exact Mass1276.07
IUPAC Name5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione
SMILESCO[Si](C)(O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C31H72O24Si16/c1-34-63(23,27-24-25-28-29(26-27)31(33)35-30(28)32)43-71-53-68(40-60(14,15)16)47-65(37-57(5,6)7)44-64(36-56(2,3)4)45-66(49-68,38-58(8,9)10)51-70(55-71,42-62(20,21)22)52-67(46-64,39-59(11,12)13)50-69(48-65,54-71)41-61(17,18)19/h24-26H,1-23H3
InChIKeyTZLIVJIEJHZQCE-UHFFFAOYSA-N
XLogP5.65
TPSA237.20 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.27
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione with MolForge

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Related Compounds

Poly(oxy-1,2-ethanediyl), alpha-(2-carboxybenzoyl)-omega-(3-(1,3,3,3-tetramethyl-1-((trimethylsilyl)oxy)-1-disiloxanyl)propoxy)-
CID 165367054
2-Ethylhexyl trimethylsilyl phthalate
CID 91735738
Ethyl trimethylsilyl phthalate
CID 554883
5,5'-(Dimethylsilanediyl)di(2-benzofuran-1,3-dione)
CID 12642119
Diethyl-3-(trimethylsilyl)phthalate
CID 42603594
Oxydi(ethane-2,1-diyl) bis(2-methylprop-2-enoate)--2-benzofuran-1,3-dione (1/1)
CID 6453519
5-[Fluoro(dimethyl)silyl]-2-benzofuran-1,3-dione
CID 23116704
5-[[3,5,7,9,11,13,15-Heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 90689019
5-[[3,5,7,9,11,13,15-Heptakis[[dimethyl(1,1,2,2,3,3,4,4,5-nonafluorohexyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 90994349
5-[[3,5,7,9,11,13,15-Heptakis[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 91447363
Bis[tert-butyl(dimethyl)silyl] phthalate
CID 630744
Methyl trimethylsilyl phthalate
CID 85843992

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione (CID 90862684) is 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione is CO[Si](C)(O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2)c1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione?
The InChIKey is TZLIVJIEJHZQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H72O24Si16/c1-34-63(23,27-24-25-28-29(26-27)31(33)35-30(28)32)43-71-53-68(40-60(14,15)16)47-65(37-57(5,6)7)44-64(36-56(2,3)4)45-66(49-68,38-58(8,9)10)51-70(55-71,42-62(20,21)22)52-67(46-64,39-59(11,12)13)50-69(48-65,54-71)41-61(17,18)19/h24-26H,1-23H3.
What are the key properties of 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione?
5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione has a molecular weight of 1278.27 g/mol, XLogP of 5.65, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 90862684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).