2-(2-ethoxyethoxy)-4-methylpentanenitrile

C10H19NO2 — CID 10997736

IUPAC2-(2-ethoxyethoxy)-4-methylpentanenitrile
SMILESCCOCCOC(C#N)CC(C)C
InChIInChI=1S/C10H19NO2/c1-4-12-5-6-13-10(8-11)7-9(2)3/h9-10H,4-7H2,1-3H3
InChIKeyQZBVTERQWWDKRJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.98
Rot. Bonds7

About 2-(2-ethoxyethoxy)-4-methylpentanenitrile

2-(2-ethoxyethoxy)-4-methylpentanenitrile (PubChem CID 10997736) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-4-methylpentanenitrile.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-4-methylpentanenitrile
PubChem CID10997736
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(2-ethoxyethoxy)-4-methylpentanenitrile
SMILESCCOCCOC(C#N)CC(C)C
InChIInChI=1S/C10H19NO2/c1-4-12-5-6-13-10(8-11)7-9(2)3/h9-10H,4-7H2,1-3H3
InChIKeyQZBVTERQWWDKRJ-UHFFFAOYSA-N
XLogP1.98
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.98
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

2-(2-ethoxyethoxy)octanenitrile
CID 121008530
3-[2-(2,5-dimethylhexan-3-yloxy)ethoxy]propanenitrile
CID 163492336
4-(2-ethoxyethoxy)-2,6,8-trimethylnonane
CID 87065827
1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
[(1S)-1-cyano-3-methylbutyl] ethyl carbonate
CID 102577018
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropan-1-ol
CID 175684711
[(1S)-1-cyano-3-methylbutyl] propanoate
CID 131848943
2-[2-(methylamino)ethoxy]butanenitrile
CID 62335687
3-(2-ethoxyethoxy)butan-2-amine
CID 61354172
1,2-diethoxyethane;hydrofluoride
CID 175535770
2-(3-methylbut-3-enoxy)butanenitrile
CID 114470223

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-4-methylpentanenitrile?
The IUPAC name of 2-(2-ethoxyethoxy)-4-methylpentanenitrile (CID 10997736) is 2-(2-ethoxyethoxy)-4-methylpentanenitrile.
What is the SMILES notation for 2-(2-ethoxyethoxy)-4-methylpentanenitrile?
The canonical SMILES for 2-(2-ethoxyethoxy)-4-methylpentanenitrile is CCOCCOC(C#N)CC(C)C.
What is the InChIKey of 2-(2-ethoxyethoxy)-4-methylpentanenitrile?
The InChIKey is QZBVTERQWWDKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-12-5-6-13-10(8-11)7-9(2)3/h9-10H,4-7H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)-4-methylpentanenitrile?
2-(2-ethoxyethoxy)-4-methylpentanenitrile has a molecular weight of 185.27 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-4-methylpentanenitrile is sourced from PubChem (CID 10997736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).