2-(2-ethoxyethoxy)propanedinitrile

C7H10N2O2 — CID 134856289

IUPAC2-(2-ethoxyethoxy)propanedinitrile
SMILESCCOCCOC(C#N)C#N
InChIInChI=1S/C7H10N2O2/c1-2-10-3-4-11-7(5-8)6-9/h7H,2-4H2,1H3
InChIKeySCVVOCRRIGOQAI-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.46
Rot. Bonds5

About 2-(2-ethoxyethoxy)propanedinitrile

2-(2-ethoxyethoxy)propanedinitrile (PubChem CID 134856289) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)propanedinitrile.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)propanedinitrile
PubChem CID134856289
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(2-ethoxyethoxy)propanedinitrile
SMILESCCOCCOC(C#N)C#N
InChIInChI=1S/C7H10N2O2/c1-2-10-3-4-11-7(5-8)6-9/h7H,2-4H2,1H3
InChIKeySCVVOCRRIGOQAI-UHFFFAOYSA-N
XLogP0.46
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)propanedinitrile?
The IUPAC name of 2-(2-ethoxyethoxy)propanedinitrile (CID 134856289) is 2-(2-ethoxyethoxy)propanedinitrile.
What is the SMILES notation for 2-(2-ethoxyethoxy)propanedinitrile?
The canonical SMILES for 2-(2-ethoxyethoxy)propanedinitrile is CCOCCOC(C#N)C#N.
What is the InChIKey of 2-(2-ethoxyethoxy)propanedinitrile?
The InChIKey is SCVVOCRRIGOQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-10-3-4-11-7(5-8)6-9/h7H,2-4H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)propanedinitrile?
2-(2-ethoxyethoxy)propanedinitrile has a molecular weight of 154.17 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)propanedinitrile is sourced from PubChem (CID 134856289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).