1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile

C14H22N2O2Si2 — CID 12924729

IUPAC1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile
SMILESC[Si](C)(C)OC1(C#N)C=CC(C#N)(O[Si](C)(C)C)C=C1
InChIInChI=1S/C14H22N2O2Si2/c1-19(2,3)17-13(11-15)7-9-14(12-16,10-8-13)18-20(4,5)6/h7-10H,1-6H3
InChIKeyIKPWJTVZYGOVLY-UHFFFAOYSA-N
MW306.51 g/mol
LogP3.34
Rot. Bonds4

About 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile

1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile (PubChem CID 12924729) has the molecular formula C14H22N2O2Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile.

Molecular Properties

Compound Name1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile
PubChem CID12924729
Molecular FormulaC14H22N2O2Si2
Molecular Weight306.51 g/mol
Exact Mass306.12
IUPAC Name1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile
SMILESC[Si](C)(C)OC1(C#N)C=CC(C#N)(O[Si](C)(C)C)C=C1
InChIInChI=1S/C14H22N2O2Si2/c1-19(2,3)17-13(11-15)7-9-14(12-16,10-8-13)18-20(4,5)6/h7-10H,1-6H3
InChIKeyIKPWJTVZYGOVLY-UHFFFAOYSA-N
XLogP3.34
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile?
The IUPAC name of 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile (CID 12924729) is 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile.
What is the SMILES notation for 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile?
The canonical SMILES for 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile is C[Si](C)(C)OC1(C#N)C=CC(C#N)(O[Si](C)(C)C)C=C1.
What is the InChIKey of 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile?
The InChIKey is IKPWJTVZYGOVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2Si2/c1-19(2,3)17-13(11-15)7-9-14(12-16,10-8-13)18-20(4,5)6/h7-10H,1-6H3.
What are the key properties of 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile?
1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile has a molecular weight of 306.51 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(trimethylsilyloxy)cyclohexa-2,5-diene-1,4-dicarbonitrile is sourced from PubChem (CID 12924729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).