6-(2-cyanoethoxy)hexanenitrile

C9H14N2O — CID 142730413

IUPAC6-(2-cyanoethoxy)hexanenitrile
SMILESN#CCCCCCOCCC#N
InChIInChI=1S/C9H14N2O/c10-6-3-1-2-4-8-12-9-5-7-11/h1-5,8-9H2
InChIKeyLCDKOUYVTLWICP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.00
Rot. Bonds7

About 6-(2-cyanoethoxy)hexanenitrile

6-(2-cyanoethoxy)hexanenitrile (PubChem CID 142730413) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-(2-cyanoethoxy)hexanenitrile.

Molecular Properties

Compound Name6-(2-cyanoethoxy)hexanenitrile
PubChem CID142730413
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-(2-cyanoethoxy)hexanenitrile
SMILESN#CCCCCCOCCC#N
InChIInChI=1S/C9H14N2O/c10-6-3-1-2-4-8-12-9-5-7-11/h1-5,8-9H2
InChIKeyLCDKOUYVTLWICP-UHFFFAOYSA-N
XLogP2.00
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-propoxybutoxy)propanenitrile
CID 146175563
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
henicosanedinitrile
CID 87345062
4-but-3-ynoxybutanenitrile
CID 134336232
3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-(2-cyanoethoxy)propyl]amino]propoxy]propanenitrile
CID 11320859
4-pentoxybutanenitrile
CID 43275140
3-[(E)-hexadec-13-enoxy]propanenitrile
CID 101282723
3-[(E)-pentadec-11-enoxy]propanenitrile
CID 101282707
3-[(E)-tridec-6-enoxy]propanenitrile
CID 101282677
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
CID 151275278
3-(4,4,4-trifluorobutoxy)propanenitrile
CID 82788617
4-(cyanomethoxy)butanenitrile
CID 142730412

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoethoxy)hexanenitrile?
The IUPAC name of 6-(2-cyanoethoxy)hexanenitrile (CID 142730413) is 6-(2-cyanoethoxy)hexanenitrile.
What is the SMILES notation for 6-(2-cyanoethoxy)hexanenitrile?
The canonical SMILES for 6-(2-cyanoethoxy)hexanenitrile is N#CCCCCCOCCC#N.
What is the InChIKey of 6-(2-cyanoethoxy)hexanenitrile?
The InChIKey is LCDKOUYVTLWICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-6-3-1-2-4-8-12-9-5-7-11/h1-5,8-9H2.
What are the key properties of 6-(2-cyanoethoxy)hexanenitrile?
6-(2-cyanoethoxy)hexanenitrile has a molecular weight of 166.22 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoethoxy)hexanenitrile is sourced from PubChem (CID 142730413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).