4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile

C32H68N2O6Si8 — CID 153321792

IUPAC4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile
SMILESC[Si](C)(C)O[Si](CCCc1cc(C#N)c(C#N)cc1CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C32H68N2O6Si8/c1-41(2,3)35-47(36-42(4,5)6,37-43(7,8)9)23-19-21-29-25-31(27-33)32(28-34)26-30(29)22-20-24-48(38-44(10,11)12,39-45(13,14)15)40-46(16,17)18/h25-26H,19-24H2,1-18H3
InChIKeyDZTURHDUYSCPAN-UHFFFAOYSA-N
MW801.59 g/mol
LogP10.28
Rot. Bonds20

About 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile

4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile (PubChem CID 153321792) has the molecular formula C32H68N2O6Si8 and a molecular weight of 801.59 g/mol. Its IUPAC name is 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile
PubChem CID153321792
Molecular FormulaC32H68N2O6Si8
Molecular Weight801.59 g/mol
Exact Mass800.32
IUPAC Name4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile
SMILESC[Si](C)(C)O[Si](CCCc1cc(C#N)c(C#N)cc1CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C32H68N2O6Si8/c1-41(2,3)35-47(36-42(4,5)6,37-43(7,8)9)23-19-21-29-25-31(27-33)32(28-34)26-30(29)22-20-24-48(38-44(10,11)12,39-45(13,14)15)40-46(16,17)18/h25-26H,19-24H2,1-18H3
InChIKeyDZTURHDUYSCPAN-UHFFFAOYSA-N
XLogP10.28
TPSA102.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.59
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile (CID 153321792) is 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile is C[Si](C)(C)O[Si](CCCc1cc(C#N)c(C#N)cc1CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile?
The InChIKey is DZTURHDUYSCPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68N2O6Si8/c1-41(2,3)35-47(36-42(4,5)6,37-43(7,8)9)23-19-21-29-25-31(27-33)32(28-34)26-30(29)22-20-24-48(38-44(10,11)12,39-45(13,14)15)40-46(16,17)18/h25-26H,19-24H2,1-18H3.
What are the key properties of 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile?
4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile has a molecular weight of 801.59 g/mol, XLogP of 10.28, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[3-tris(trimethylsilyloxy)silylpropyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 153321792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).