2-ethoxy-3,3-dimethylbutanenitrile

C8H15NO — CID 66073387

IUPAC2-ethoxy-3,3-dimethylbutanenitrile
SMILESCCOC(C#N)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-10-7(6-9)8(2,3)4/h7H,5H2,1-4H3
InChIKeyHFMQESDOPRZHNM-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds2

About 2-ethoxy-3,3-dimethylbutanenitrile

2-ethoxy-3,3-dimethylbutanenitrile (PubChem CID 66073387) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethylbutanenitrile
PubChem CID66073387
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethoxy-3,3-dimethylbutanenitrile
SMILESCCOC(C#N)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-10-7(6-9)8(2,3)4/h7H,5H2,1-4H3
InChIKeyHFMQESDOPRZHNM-UHFFFAOYSA-N
XLogP1.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethylbutanenitrile?
The IUPAC name of 2-ethoxy-3,3-dimethylbutanenitrile (CID 66073387) is 2-ethoxy-3,3-dimethylbutanenitrile.
What is the SMILES notation for 2-ethoxy-3,3-dimethylbutanenitrile?
The canonical SMILES for 2-ethoxy-3,3-dimethylbutanenitrile is CCOC(C#N)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethylbutanenitrile?
The InChIKey is HFMQESDOPRZHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-10-7(6-9)8(2,3)4/h7H,5H2,1-4H3.
What are the key properties of 2-ethoxy-3,3-dimethylbutanenitrile?
2-ethoxy-3,3-dimethylbutanenitrile has a molecular weight of 141.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethylbutanenitrile is sourced from PubChem (CID 66073387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).