2-ethoxy-2-ethylhexanenitrile

C10H19NO — CID 66070483

IUPAC2-ethoxy-2-ethylhexanenitrile
SMILESCCCCC(C#N)(CC)OCC
InChIInChI=1S/C10H19NO/c1-4-7-8-10(5-2,9-11)12-6-3/h4-8H2,1-3H3
InChIKeyTUEBKOSRETWUEY-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.89
Rot. Bonds6

About 2-ethoxy-2-ethylhexanenitrile

2-ethoxy-2-ethylhexanenitrile (PubChem CID 66070483) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-ethoxy-2-ethylhexanenitrile.

Molecular Properties

Compound Name2-ethoxy-2-ethylhexanenitrile
PubChem CID66070483
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-ethoxy-2-ethylhexanenitrile
SMILESCCCCC(C#N)(CC)OCC
InChIInChI=1S/C10H19NO/c1-4-7-8-10(5-2,9-11)12-6-3/h4-8H2,1-3H3
InChIKeyTUEBKOSRETWUEY-UHFFFAOYSA-N
XLogP2.89
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethylhexanenitrile?
The IUPAC name of 2-ethoxy-2-ethylhexanenitrile (CID 66070483) is 2-ethoxy-2-ethylhexanenitrile.
What is the SMILES notation for 2-ethoxy-2-ethylhexanenitrile?
The canonical SMILES for 2-ethoxy-2-ethylhexanenitrile is CCCCC(C#N)(CC)OCC.
What is the InChIKey of 2-ethoxy-2-ethylhexanenitrile?
The InChIKey is TUEBKOSRETWUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-8-10(5-2,9-11)12-6-3/h4-8H2,1-3H3.
What are the key properties of 2-ethoxy-2-ethylhexanenitrile?
2-ethoxy-2-ethylhexanenitrile has a molecular weight of 169.27 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethylhexanenitrile is sourced from PubChem (CID 66070483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).