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

C9H17NO2 — CID 106447606

IUPAC3-[2-(2-methylpropoxy)ethoxy]propanenitrile
SMILESCC(C)COCCOCCC#N
InChIInChI=1S/C9H17NO2/c1-9(2)8-12-7-6-11-5-3-4-10/h9H,3,5-8H2,1-2H3
InChIKeyHKKVBIVGTAVFFM-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.59
Rot. Bonds7

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

3-[2-(2-methylpropoxy)ethoxy]propanenitrile (PubChem CID 106447606) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)ethoxy]propanenitrile.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)ethoxy]propanenitrile
PubChem CID106447606
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-[2-(2-methylpropoxy)ethoxy]propanenitrile
SMILESCC(C)COCCOCCC#N
InChIInChI=1S/C9H17NO2/c1-9(2)8-12-7-6-11-5-3-4-10/h9H,3,5-8H2,1-2H3
InChIKeyHKKVBIVGTAVFFM-UHFFFAOYSA-N
XLogP1.59
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.59
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-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-[2-(2,5-dimethylhexan-3-yloxy)ethoxy]propanenitrile
CID 163492336
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
CID 151275278
3-[3-[hydroxy(methyl)silyl]-2-methylpropoxy]propanenitrile
CID 173444638
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
6-(2-cyanoethoxy)hexanenitrile
CID 142730413
3-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]propanenitrile
CID 177118275
4-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)butanenitrile
CID 106448768
2-(hydroxymethyl)-4-(2-methylpropoxy)butanenitrile
CID 106457587
ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 171646714
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)ethoxy]propanenitrile?
The IUPAC name of 3-[2-(2-methylpropoxy)ethoxy]propanenitrile (CID 106447606) is 3-[2-(2-methylpropoxy)ethoxy]propanenitrile.
What is the SMILES notation for 3-[2-(2-methylpropoxy)ethoxy]propanenitrile?
The canonical SMILES for 3-[2-(2-methylpropoxy)ethoxy]propanenitrile is CC(C)COCCOCCC#N.
What is the InChIKey of 3-[2-(2-methylpropoxy)ethoxy]propanenitrile?
The InChIKey is HKKVBIVGTAVFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2)8-12-7-6-11-5-3-4-10/h9H,3,5-8H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropoxy)ethoxy]propanenitrile?
3-[2-(2-methylpropoxy)ethoxy]propanenitrile has a molecular weight of 171.24 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)ethoxy]propanenitrile is sourced from PubChem (CID 106447606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).