2-ethyl-2-methoxybutanenitrile

C7H13NO — CID 13099195

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

About 2-ethyl-2-methoxybutanenitrile

2-ethyl-2-methoxybutanenitrile (PubChem CID 13099195) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-ethyl-2-methoxybutanenitrile.

Molecular Properties

Compound Name2-ethyl-2-methoxybutanenitrile
PubChem CID13099195
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-ethyl-2-methoxybutanenitrile
SMILESCCC(C#N)(CC)OC
InChIInChI=1S/C7H13NO/c1-4-7(5-2,6-8)9-3/h4-5H2,1-3H3
InChIKeyFSAFOUOPIXABDR-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-Methoxy-2-methylpropanenitrile
CID 12578534
1-Methoxycyclobutane-1-carbonitrile
CID 66071122
2-(1-Methoxycyclopropyl)acetonitrile
CID 146049032
2-Methoxy-2-methylpentanenitrile
CID 66070291
3-Methoxy-3-methylbutanenitrile
CID 14880677
2-Methoxy-2,3-dimethylbutanenitrile
CID 15495968
2-Methoxy-2-methylbutanedinitrile
CID 53862689
3-Methoxy-3-methylhexanenitrile
CID 57145144
CID 57945140
CID 57945140
CID 58544137
CID 58544137
2-Ethoxy-2-methylbutanenitrile
CID 66072757
2-Methoxy-2-methylbutanenitrile
CID 66073187

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxybutanenitrile?
The IUPAC name of 2-ethyl-2-methoxybutanenitrile (CID 13099195) is 2-ethyl-2-methoxybutanenitrile.
What is the SMILES notation for 2-ethyl-2-methoxybutanenitrile?
The canonical SMILES for 2-ethyl-2-methoxybutanenitrile is CCC(C#N)(CC)OC.
What is the InChIKey of 2-ethyl-2-methoxybutanenitrile?
The InChIKey is FSAFOUOPIXABDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(5-2,6-8)9-3/h4-5H2,1-3H3.
What are the key properties of 2-ethyl-2-methoxybutanenitrile?
2-ethyl-2-methoxybutanenitrile 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-ethyl-2-methoxybutanenitrile is sourced from PubChem (CID 13099195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).