trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane

C42H54Si6 — CID 101023055

IUPACtrimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]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=C21)C([Si](C)(C)C)=C4[Si](C)(C)C)C([Si](C)(C)C)=C3[Si](C)(C)C
InChIInChI=1S/C42H54Si6/c1-43(2,3)37-31-25-19-20-27-33-35(41(47(13,14)15)39(33)45(7,8)9)29-23-24-30-36-34(40(46(10,11)12)42(36)48(16,17)18)28-22-21-26-32(31)38(37)44(4,5)6/h1-18H3
InChIKeyVCRPLWITDXXZDN-UHFFFAOYSA-N
MW727.41 g/mol
LogP11.95
Rot. Bonds6

About trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane

trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane (PubChem CID 101023055) has the molecular formula C42H54Si6 and a molecular weight of 727.41 g/mol. Its IUPAC name is trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane.

Molecular Properties

Compound Nametrimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane
PubChem CID101023055
Molecular FormulaC42H54Si6
Molecular Weight727.41 g/mol
Exact Mass726.28
IUPAC Nametrimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]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=C21)C([Si](C)(C)C)=C4[Si](C)(C)C)C([Si](C)(C)C)=C3[Si](C)(C)C
InChIInChI=1S/C42H54Si6/c1-43(2,3)37-31-25-19-20-27-33-35(41(47(13,14)15)39(33)45(7,8)9)29-23-24-30-36-34(40(46(10,11)12)42(36)48(16,17)18)28-22-21-26-32(31)38(37)44(4,5)6/h1-18H3
InChIKeyVCRPLWITDXXZDN-UHFFFAOYSA-N
XLogP11.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.41
LogP ≤ 511.95
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-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane?
The IUPAC name of trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane (CID 101023055) is trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane.
What is the SMILES notation for trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane?
The canonical SMILES for trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]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=C21)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-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane?
The InChIKey is VCRPLWITDXXZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54Si6/c1-43(2,3)37-31-25-19-20-27-33-35(41(47(13,14)15)39(33)45(7,8)9)29-23-24-30-36-34(40(46(10,11)12)42(36)48(16,17)18)28-22-21-26-32(31)38(37)44(4,5)6/h1-18H3.
What are the key properties of trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane?
trimethyl-[8,15,16,23,24-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane has a molecular weight of 727.41 g/mol, XLogP of 11.95, 6 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-pentakis(trimethylsilyl)-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]silane is sourced from PubChem (CID 101023055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).