2-ethoxy-2-(oxolan-3-yl)acetonitrile

C8H13NO2 — CID 66071518

IUPAC2-ethoxy-2-(oxolan-3-yl)acetonitrile
SMILESCCOC(C#N)C1CCOC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(5-9)7-3-4-10-6-7/h7-8H,2-4,6H2,1H3
InChIKeySUWKMRZQXXQNEK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.95
Rot. Bonds3

About 2-ethoxy-2-(oxolan-3-yl)acetonitrile

2-ethoxy-2-(oxolan-3-yl)acetonitrile (PubChem CID 66071518) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-ethoxy-2-(oxolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-(oxolan-3-yl)acetonitrile
PubChem CID66071518
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-ethoxy-2-(oxolan-3-yl)acetonitrile
SMILESCCOC(C#N)C1CCOC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(5-9)7-3-4-10-6-7/h7-8H,2-4,6H2,1H3
InChIKeySUWKMRZQXXQNEK-UHFFFAOYSA-N
XLogP0.95
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(oxolan-3-yl)acetonitrile?
The IUPAC name of 2-ethoxy-2-(oxolan-3-yl)acetonitrile (CID 66071518) is 2-ethoxy-2-(oxolan-3-yl)acetonitrile.
What is the SMILES notation for 2-ethoxy-2-(oxolan-3-yl)acetonitrile?
The canonical SMILES for 2-ethoxy-2-(oxolan-3-yl)acetonitrile is CCOC(C#N)C1CCOC1.
What is the InChIKey of 2-ethoxy-2-(oxolan-3-yl)acetonitrile?
The InChIKey is SUWKMRZQXXQNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(5-9)7-3-4-10-6-7/h7-8H,2-4,6H2,1H3.
What are the key properties of 2-ethoxy-2-(oxolan-3-yl)acetonitrile?
2-ethoxy-2-(oxolan-3-yl)acetonitrile has a molecular weight of 155.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(oxolan-3-yl)acetonitrile is sourced from PubChem (CID 66071518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).