2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile

C20H40N2O2Si2 — CID 101440699

IUPAC2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile
SMILESCCC(C#N)(O[Si](CC)(CC)CC)C(C#N)(CC)O[Si](CC)(CC)CC
InChIInChI=1S/C20H40N2O2Si2/c1-9-19(17-21,23-25(11-3,12-4)13-5)20(10-2,18-22)24-26(14-6,15-7)16-8/h9-16H2,1-8H3
InChIKeyDQMYEZMFGRFNCV-UHFFFAOYSA-N
MW396.72 g/mol
LogP6.37
Rot. Bonds13

About 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile

2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile (PubChem CID 101440699) has the molecular formula C20H40N2O2Si2 and a molecular weight of 396.72 g/mol. Its IUPAC name is 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile.

Molecular Properties

Compound Name2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile
PubChem CID101440699
Molecular FormulaC20H40N2O2Si2
Molecular Weight396.72 g/mol
Exact Mass396.26
IUPAC Name2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile
SMILESCCC(C#N)(O[Si](CC)(CC)CC)C(C#N)(CC)O[Si](CC)(CC)CC
InChIInChI=1S/C20H40N2O2Si2/c1-9-19(17-21,23-25(11-3,12-4)13-5)20(10-2,18-22)24-26(14-6,15-7)16-8/h9-16H2,1-8H3
InChIKeyDQMYEZMFGRFNCV-UHFFFAOYSA-N
XLogP6.37
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.72
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile?
The IUPAC name of 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile (CID 101440699) is 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile.
What is the SMILES notation for 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile?
The canonical SMILES for 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile is CCC(C#N)(O[Si](CC)(CC)CC)C(C#N)(CC)O[Si](CC)(CC)CC.
What is the InChIKey of 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile?
The InChIKey is DQMYEZMFGRFNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2Si2/c1-9-19(17-21,23-25(11-3,12-4)13-5)20(10-2,18-22)24-26(14-6,15-7)16-8/h9-16H2,1-8H3.
What are the key properties of 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile?
2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile has a molecular weight of 396.72 g/mol, XLogP of 6.37, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,3-bis(triethylsilyloxy)butanedinitrile is sourced from PubChem (CID 101440699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).