2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile

C15H24N2O2Si — CID 134856331

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile
SMILESCC(C)(C)[Si](C)(C)OC(C#N)(C#N)C1CCCC(=O)C1
InChIInChI=1S/C15H24N2O2Si/c1-14(2,3)20(4,5)19-15(10-16,11-17)12-7-6-8-13(18)9-12/h12H,6-9H2,1-5H3
InChIKeyQZSXTCCDSKFWMF-UHFFFAOYSA-N
MW292.46 g/mol
LogP3.55
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile

2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile (PubChem CID 134856331) has the molecular formula C15H24N2O2Si and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile
PubChem CID134856331
Molecular FormulaC15H24N2O2Si
Molecular Weight292.46 g/mol
Exact Mass292.16
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile
SMILESCC(C)(C)[Si](C)(C)OC(C#N)(C#N)C1CCCC(=O)C1
InChIInChI=1S/C15H24N2O2Si/c1-14(2,3)20(4,5)19-15(10-16,11-17)12-7-6-8-13(18)9-12/h12H,6-9H2,1-5H3
InChIKeyQZSXTCCDSKFWMF-UHFFFAOYSA-N
XLogP3.55
TPSA73.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 53.55
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-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile (CID 134856331) is 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile is CC(C)(C)[Si](C)(C)OC(C#N)(C#N)C1CCCC(=O)C1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile?
The InChIKey is QZSXTCCDSKFWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2Si/c1-14(2,3)20(4,5)19-15(10-16,11-17)12-7-6-8-13(18)9-12/h12H,6-9H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile?
2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile has a molecular weight of 292.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxocyclohexyl)propanedinitrile is sourced from PubChem (CID 134856331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).