2-ethoxy-2-(oxan-4-yl)acetonitrile

C9H15NO2 — CID 66070893

IUPAC2-ethoxy-2-(oxan-4-yl)acetonitrile
SMILESCCOC(C#N)C1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-12-9(7-10)8-3-5-11-6-4-8/h8-9H,2-6H2,1H3
InChIKeyZQNWQOJPKDWENI-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.34
Rot. Bonds3

About 2-ethoxy-2-(oxan-4-yl)acetonitrile

2-ethoxy-2-(oxan-4-yl)acetonitrile (PubChem CID 66070893) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-ethoxy-2-(oxan-4-yl)acetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-(oxan-4-yl)acetonitrile
PubChem CID66070893
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-ethoxy-2-(oxan-4-yl)acetonitrile
SMILESCCOC(C#N)C1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-12-9(7-10)8-3-5-11-6-4-8/h8-9H,2-6H2,1H3
InChIKeyZQNWQOJPKDWENI-UHFFFAOYSA-N
XLogP1.34
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(oxan-4-yl)acetonitrile?
The IUPAC name of 2-ethoxy-2-(oxan-4-yl)acetonitrile (CID 66070893) is 2-ethoxy-2-(oxan-4-yl)acetonitrile.
What is the SMILES notation for 2-ethoxy-2-(oxan-4-yl)acetonitrile?
The canonical SMILES for 2-ethoxy-2-(oxan-4-yl)acetonitrile is CCOC(C#N)C1CCOCC1.
What is the InChIKey of 2-ethoxy-2-(oxan-4-yl)acetonitrile?
The InChIKey is ZQNWQOJPKDWENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-12-9(7-10)8-3-5-11-6-4-8/h8-9H,2-6H2,1H3.
What are the key properties of 2-ethoxy-2-(oxan-4-yl)acetonitrile?
2-ethoxy-2-(oxan-4-yl)acetonitrile has a molecular weight of 169.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(oxan-4-yl)acetonitrile is sourced from PubChem (CID 66070893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).