2-(methoxymethoxy)propanedinitrile

C5H6N2O2 — CID 11073423

IUPAC2-(methoxymethoxy)propanedinitrile
SMILESCOCOC(C#N)C#N
InChIInChI=1S/C5H6N2O2/c1-8-4-9-5(2-6)3-7/h5H,4H2,1H3
InChIKeyOWVJOJCUWUUCJA-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.02
Rot. Bonds3

About 2-(methoxymethoxy)propanedinitrile

2-(methoxymethoxy)propanedinitrile (PubChem CID 11073423) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-(methoxymethoxy)propanedinitrile.

Molecular Properties

Compound Name2-(methoxymethoxy)propanedinitrile
PubChem CID11073423
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name2-(methoxymethoxy)propanedinitrile
SMILESCOCOC(C#N)C#N
InChIInChI=1S/C5H6N2O2/c1-8-4-9-5(2-6)3-7/h5H,4H2,1H3
InChIKeyOWVJOJCUWUUCJA-UHFFFAOYSA-N
XLogP0.02
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)propanedinitrile?
The IUPAC name of 2-(methoxymethoxy)propanedinitrile (CID 11073423) is 2-(methoxymethoxy)propanedinitrile.
What is the SMILES notation for 2-(methoxymethoxy)propanedinitrile?
The canonical SMILES for 2-(methoxymethoxy)propanedinitrile is COCOC(C#N)C#N.
What is the InChIKey of 2-(methoxymethoxy)propanedinitrile?
The InChIKey is OWVJOJCUWUUCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-8-4-9-5(2-6)3-7/h5H,4H2,1H3.
What are the key properties of 2-(methoxymethoxy)propanedinitrile?
2-(methoxymethoxy)propanedinitrile has a molecular weight of 126.11 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)propanedinitrile is sourced from PubChem (CID 11073423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).