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

C14H24N2O5 — CID 13446505

IUPAC3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
SMILESN#CCCOCCOCCOCCOCCOCCC#N
InChIInChI=1S/C14H24N2O5/c15-3-1-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-2-4-16/h1-2,5-14H2
InChIKeyJTKLWARHCXXPJD-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.90
Rot. Bonds16

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

3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile (PubChem CID 13446505) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
PubChem CID13446505
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
SMILESN#CCCOCCOCCOCCOCCOCCC#N
InChIInChI=1S/C14H24N2O5/c15-3-1-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-2-4-16/h1-2,5-14H2
InChIKeyJTKLWARHCXXPJD-UHFFFAOYSA-N
XLogP0.90
TPSA93.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile?
The IUPAC name of 3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile (CID 13446505) is 3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile.
What is the SMILES notation for 3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile?
The canonical SMILES for 3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile is N#CCCOCCOCCOCCOCCOCCC#N.
What is the InChIKey of 3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile?
The InChIKey is JTKLWARHCXXPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c15-3-1-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-2-4-16/h1-2,5-14H2.
What are the key properties of 3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile?
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile has a molecular weight of 300.36 g/mol, XLogP of 0.90, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile is sourced from PubChem (CID 13446505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).