3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile

C14H24N2O6 — CID 151275278

IUPAC3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
SMILESN#CCCOCCOCOCCOCOCCOCCC#N
InChIInChI=1S/C14H24N2O6/c15-3-1-5-17-7-9-19-13-21-11-12-22-14-20-10-8-18-6-2-4-16/h1-2,5-14H2
InChIKeyNXFKKKSVYJAGTF-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.83
Rot. Bonds17

About 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile

3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile (PubChem CID 151275278) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile.

Molecular Properties

Compound Name3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
PubChem CID151275278
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
SMILESN#CCCOCCOCOCCOCOCCOCCC#N
InChIInChI=1S/C14H24N2O6/c15-3-1-5-17-7-9-19-13-21-11-12-22-14-20-10-8-18-6-2-4-16/h1-2,5-14H2
InChIKeyNXFKKKSVYJAGTF-UHFFFAOYSA-N
XLogP0.83
TPSA102.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile?
The IUPAC name of 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile (CID 151275278) is 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile.
What is the SMILES notation for 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile?
The canonical SMILES for 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile is N#CCCOCCOCOCCOCOCCOCCC#N.
What is the InChIKey of 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile?
The InChIKey is NXFKKKSVYJAGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c15-3-1-5-17-7-9-19-13-21-11-12-22-14-20-10-8-18-6-2-4-16/h1-2,5-14H2.
What are the key properties of 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile?
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile has a molecular weight of 316.35 g/mol, XLogP of 0.83, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile is sourced from PubChem (CID 151275278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).