trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane

C70H90Si10 — CID 101023057

IUPACtrimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C5C(=C=C=C=C=C6C(=C=C=C=C=C21)C([Si](C)(C)C)=C6[Si](C)(C)C)C([Si](C)(C)C)=C5[Si](C)(C)C)C([Si](C)(C)C)=C4[Si](C)(C)C)C([Si](C)(C)C)=C3[Si](C)(C)C
InChIInChI=1S/C70H90Si10/c1-71(2,3)61-51-41-31-32-43-53-55(65(75(13,14)15)63(53)73(7,8)9)45-35-36-47-57-59(69(79(25,26)27)67(57)77(19,20)21)49-39-40-50-60-58(68(78(22,23)24)70(60)80(28,29)30)48-38-37-46-56-54(64(74(10,11)12)66(56)76(16,17)18)44-34-33-42-52(51)62(61)72(4,5)6/h1-30H3
InChIKeyKQWAEPZCEPKIRJ-UHFFFAOYSA-N
MW1212.35 g/mol
LogP19.91
Rot. Bonds10

About trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane

trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane (PubChem CID 101023057) has the molecular formula C70H90Si10 and a molecular weight of 1212.35 g/mol. Its IUPAC name is trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane.

Molecular Properties

Compound Nametrimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane
PubChem CID101023057
Molecular FormulaC70H90Si10
Molecular Weight1212.35 g/mol
Exact Mass1210.47
IUPAC Nametrimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C5C(=C=C=C=C=C6C(=C=C=C=C=C21)C([Si](C)(C)C)=C6[Si](C)(C)C)C([Si](C)(C)C)=C5[Si](C)(C)C)C([Si](C)(C)C)=C4[Si](C)(C)C)C([Si](C)(C)C)=C3[Si](C)(C)C
InChIInChI=1S/C70H90Si10/c1-71(2,3)61-51-41-31-32-43-53-55(65(75(13,14)15)63(53)73(7,8)9)45-35-36-47-57-59(69(79(25,26)27)67(57)77(19,20)21)49-39-40-50-60-58(68(78(22,23)24)70(60)80(28,29)30)48-38-37-46-56-54(64(74(10,11)12)66(56)76(16,17)18)44-34-33-42-52(51)62(61)72(4,5)6/h1-30H3
InChIKeyKQWAEPZCEPKIRJ-UHFFFAOYSA-N
XLogP19.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.35
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane?
The IUPAC name of trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane (CID 101023057) is trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane.
What is the SMILES notation for trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane?
The canonical SMILES for trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane is C[Si](C)(C)C1=C([Si](C)(C)C)C2=C=C=C=C=C3C(=C=C=C=C=C4C(=C=C=C=C=C5C(=C=C=C=C=C6C(=C=C=C=C=C21)C([Si](C)(C)C)=C6[Si](C)(C)C)C([Si](C)(C)C)=C5[Si](C)(C)C)C([Si](C)(C)C)=C4[Si](C)(C)C)C([Si](C)(C)C)=C3[Si](C)(C)C.
What is the InChIKey of trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane?
The InChIKey is KQWAEPZCEPKIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H90Si10/c1-71(2,3)61-51-41-31-32-43-53-55(65(75(13,14)15)63(53)73(7,8)9)45-35-36-47-57-59(69(79(25,26)27)67(57)77(19,20)21)49-39-40-50-60-58(68(78(22,23)24)70(60)80(28,29)30)48-38-37-46-56-54(64(74(10,11)12)66(56)76(16,17)18)44-34-33-42-52(51)62(61)72(4,5)6/h1-30H3.
What are the key properties of trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane?
trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane has a molecular weight of 1212.35 g/mol, XLogP of 19.91, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[8,15,16,23,24,31,32,39,40-nonakis(trimethylsilyl)-7-hexacyclo[36.2.0.06,9.014,17.022,25.030,33]tetraconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31,33,34,35,36,37,39-triacontaenyl]silane is sourced from PubChem (CID 101023057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).