2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile

C20H40N2O2Si2 — CID 11463624

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

About 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile

2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile (PubChem CID 11463624) has the molecular formula C20H40N2O2Si2 and a molecular weight of 396.72 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile.

Molecular Properties

Compound Name2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile
PubChem CID11463624
Molecular FormulaC20H40N2O2Si2
Molecular Weight396.72 g/mol
Exact Mass396.26
IUPAC Name2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile
SMILESCC[Si](CC)(CC)OC(C)(C#N)CCC(C)(C#N)O[Si](CC)(CC)CC
InChIInChI=1S/C20H40N2O2Si2/c1-9-25(10-2,11-3)23-19(7,17-21)15-16-20(8,18-22)24-26(12-4,13-5)14-6/h9-16H2,1-8H3
InChIKeyLVUSDDLKFLDAER-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 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile?
The IUPAC name of 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile (CID 11463624) is 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile.
What is the SMILES notation for 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile?
The canonical SMILES for 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile is CC[Si](CC)(CC)OC(C)(C#N)CCC(C)(C#N)O[Si](CC)(CC)CC.
What is the InChIKey of 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile?
The InChIKey is LVUSDDLKFLDAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2Si2/c1-9-25(10-2,11-3)23-19(7,17-21)15-16-20(8,18-22)24-26(12-4,13-5)14-6/h9-16H2,1-8H3.
What are the key properties of 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile?
2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile 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 2,5-dimethyl-2,5-bis(triethylsilyloxy)hexanedinitrile is sourced from PubChem (CID 11463624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).