2-ethoxy-2-methylbutanenitrile

C7H13NO — CID 66072757

IUPAC2-ethoxy-2-methylbutanenitrile
SMILESCCOC(C)(C#N)CC
InChIInChI=1S/C7H13NO/c1-4-7(3,6-8)9-5-2/h4-5H2,1-3H3
InChIKeyCASNBAUDOOUYIA-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.72
Rot. Bonds3

About 2-ethoxy-2-methylbutanenitrile

2-ethoxy-2-methylbutanenitrile (PubChem CID 66072757) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-ethoxy-2-methylbutanenitrile.

Molecular Properties

Compound Name2-ethoxy-2-methylbutanenitrile
PubChem CID66072757
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-ethoxy-2-methylbutanenitrile
SMILESCCOC(C)(C#N)CC
InChIInChI=1S/C7H13NO/c1-4-7(3,6-8)9-5-2/h4-5H2,1-3H3
InChIKeyCASNBAUDOOUYIA-UHFFFAOYSA-N
XLogP1.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Tert-butoxy)acetonitrile
CID 12286866
2-Methoxy-2-methylpropanenitrile
CID 12578534
3-(Tert-butoxy)propanenitrile
CID 2760948
2-Ethoxybutanenitrile
CID 13099193
1-Ethoxycyclobutane-1-carbonitrile
CID 66071110
3,3-Dimethyloxirane-2-carbonitrile
CID 11105314
2-(tert-Butoxy)propanenitrile
CID 46869978
Propylidenoxybutyronitril
CID 61702771
Dicyanodiethyl ether
CID 87332304
1,2,3-(Tris-cyanoethoxy) propane
CID 87462461
3,3-Dimethyl-oxiranecarbonitrile
CID 12947673
3-Propoxybutanenitrile
CID 22672903

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methylbutanenitrile?
The IUPAC name of 2-ethoxy-2-methylbutanenitrile (CID 66072757) is 2-ethoxy-2-methylbutanenitrile.
What is the SMILES notation for 2-ethoxy-2-methylbutanenitrile?
The canonical SMILES for 2-ethoxy-2-methylbutanenitrile is CCOC(C)(C#N)CC.
What is the InChIKey of 2-ethoxy-2-methylbutanenitrile?
The InChIKey is CASNBAUDOOUYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(3,6-8)9-5-2/h4-5H2,1-3H3.
What are the key properties of 2-ethoxy-2-methylbutanenitrile?
2-ethoxy-2-methylbutanenitrile has a molecular weight of 127.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methylbutanenitrile is sourced from PubChem (CID 66072757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).