2-ethoxy-2-methylpropanenitrile

C6H11NO — CID 12578535

IUPAC2-ethoxy-2-methylpropanenitrile
SMILESCCOC(C)(C)C#N
InChIInChI=1S/C6H11NO/c1-4-8-6(2,3)5-7/h4H2,1-3H3
InChIKeyLZHWPSMXWLOXNK-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.33
Rot. Bonds2

About 2-ethoxy-2-methylpropanenitrile

2-ethoxy-2-methylpropanenitrile (PubChem CID 12578535) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-ethoxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-ethoxy-2-methylpropanenitrile
PubChem CID12578535
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-ethoxy-2-methylpropanenitrile
SMILESCCOC(C)(C)C#N
InChIInChI=1S/C6H11NO/c1-4-8-6(2,3)5-7/h4H2,1-3H3
InChIKeyLZHWPSMXWLOXNK-UHFFFAOYSA-N
XLogP1.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propanenitrile, 3-ethoxy-
CID 16501
3-Isopropoxypropiononitrile
CID 66969
3-Propoxypropanenitrile
CID 94781
3-(2-Methylpropoxy)propanenitrile
CID 100890
Ethoxymethyl malononitrile
CID 296281
2-(Tert-butoxy)acetonitrile
CID 12286866
2-Methoxy-2-methylpropanenitrile
CID 12578534
2-Ethoxypropionitrile
CID 12729368
3-(Tert-butoxy)propanenitrile
CID 2760948
2-Ethoxybutanenitrile
CID 13099193
2,3-Epoxy-2-methylpropiononitrile
CID 3015914
Propanenitrile, 2-methyl-3-(1-methylethyl)oxy
CID 524269

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methylpropanenitrile?
The IUPAC name of 2-ethoxy-2-methylpropanenitrile (CID 12578535) is 2-ethoxy-2-methylpropanenitrile.
What is the SMILES notation for 2-ethoxy-2-methylpropanenitrile?
The canonical SMILES for 2-ethoxy-2-methylpropanenitrile is CCOC(C)(C)C#N.
What is the InChIKey of 2-ethoxy-2-methylpropanenitrile?
The InChIKey is LZHWPSMXWLOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-8-6(2,3)5-7/h4H2,1-3H3.
What are the key properties of 2-ethoxy-2-methylpropanenitrile?
2-ethoxy-2-methylpropanenitrile has a molecular weight of 113.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methylpropanenitrile is sourced from PubChem (CID 12578535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).