(17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane

C42H42Si2 — CID 101217328

IUPAC(17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)=C=C=C=C=c1cc(C(C)(C)C)ccc1=C=C=C=C=C1C(=C=C=C=C=2)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C42H42Si2/c1-41(2,3)35-27-25-31-19-15-17-23-37-38(40(44(10,11)12)39(37)43(7,8)9)24-18-16-20-32-26-28-36(42(4,5)6)30-34(32)22-14-13-21-33(31)29-35/h25-30H,1-12H3
InChIKeyCOWYXJWDIYOADX-UHFFFAOYSA-N
MW602.97 g/mol
LogP7.23
Rot. Bonds2

About (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane

(17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane (PubChem CID 101217328) has the molecular formula C42H42Si2 and a molecular weight of 602.97 g/mol. Its IUPAC name is (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane.

Molecular Properties

Compound Name(17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane
PubChem CID101217328
Molecular FormulaC42H42Si2
Molecular Weight602.97 g/mol
Exact Mass602.28
IUPAC Name(17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)=C=C=C=C=c1cc(C(C)(C)C)ccc1=C=C=C=C=C1C(=C=C=C=C=2)C([Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C42H42Si2/c1-41(2,3)35-27-25-31-19-15-17-23-37-38(40(44(10,11)12)39(37)43(7,8)9)24-18-16-20-32-26-28-36(42(4,5)6)30-34(32)22-14-13-21-33(31)29-35/h25-30H,1-12H3
InChIKeyCOWYXJWDIYOADX-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.97
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane?
The IUPAC name of (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane (CID 101217328) is (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane.
What is the SMILES notation for (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane?
The canonical SMILES for (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane is CC(C)(C)c1ccc2c(c1)=C=C=C=C=c1cc(C(C)(C)C)ccc1=C=C=C=C=C1C(=C=C=C=C=2)C([Si](C)(C)C)=C1[Si](C)(C)C.
What is the InChIKey of (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane?
The InChIKey is COWYXJWDIYOADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42Si2/c1-41(2,3)35-27-25-31-19-15-17-23-37-38(40(44(10,11)12)39(37)43(7,8)9)24-18-16-20-32-26-28-36(42(4,5)6)30-34(32)22-14-13-21-33(31)29-35/h25-30H,1-12H3.
What are the key properties of (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane?
(17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane has a molecular weight of 602.97 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (17,26-ditert-butyl-8-trimethylsilyl-7-tetracyclo[22.4.0.06,9.014,19]octacosa-1,2,3,4,5,7,9,10,11,12,13,15,17,19,20,21,22,23,25,27-icosaenyl)-trimethylsilane is sourced from PubChem (CID 101217328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).