2-(methoxymethoxy)pentanenitrile

C7H13NO2 — CID 87931791

IUPAC2-(methoxymethoxy)pentanenitrile
SMILESCCCC(C#N)OCOC
InChIInChI=1S/C7H13NO2/c1-3-4-7(5-8)10-6-9-2/h7H,3-4,6H2,1-2H3
InChIKeyYZDJFLIWMFYZFE-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.30
Rot. Bonds5

About 2-(methoxymethoxy)pentanenitrile

2-(methoxymethoxy)pentanenitrile (PubChem CID 87931791) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(methoxymethoxy)pentanenitrile.

Molecular Properties

Compound Name2-(methoxymethoxy)pentanenitrile
PubChem CID87931791
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(methoxymethoxy)pentanenitrile
SMILESCCCC(C#N)OCOC
InChIInChI=1S/C7H13NO2/c1-3-4-7(5-8)10-6-9-2/h7H,3-4,6H2,1-2H3
InChIKeyYZDJFLIWMFYZFE-UHFFFAOYSA-N
XLogP1.30
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)pentanenitrile?
The IUPAC name of 2-(methoxymethoxy)pentanenitrile (CID 87931791) is 2-(methoxymethoxy)pentanenitrile.
What is the SMILES notation for 2-(methoxymethoxy)pentanenitrile?
The canonical SMILES for 2-(methoxymethoxy)pentanenitrile is CCCC(C#N)OCOC.
What is the InChIKey of 2-(methoxymethoxy)pentanenitrile?
The InChIKey is YZDJFLIWMFYZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-7(5-8)10-6-9-2/h7H,3-4,6H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)pentanenitrile?
2-(methoxymethoxy)pentanenitrile has a molecular weight of 143.19 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)pentanenitrile is sourced from PubChem (CID 87931791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).