2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile

C11H19NO — CID 65378490

IUPAC2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile
SMILESCCC(C)(C#N)CCC1CCCO1
InChIInChI=1S/C11H19NO/c1-3-11(2,9-12)7-6-10-5-4-8-13-10/h10H,3-8H2,1-2H3
InChIKeyOKXSLOBHOYNKBE-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.89
Rot. Bonds4

About 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile

2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile (PubChem CID 65378490) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile
PubChem CID65378490
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile
SMILESCCC(C)(C#N)CCC1CCCO1
InChIInChI=1S/C11H19NO/c1-3-11(2,9-12)7-6-10-5-4-8-13-10/h10H,3-8H2,1-2H3
InChIKeyOKXSLOBHOYNKBE-UHFFFAOYSA-N
XLogP2.89
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile?
The IUPAC name of 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile (CID 65378490) is 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile.
What is the SMILES notation for 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile?
The canonical SMILES for 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile is CCC(C)(C#N)CCC1CCCO1.
What is the InChIKey of 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile?
The InChIKey is OKXSLOBHOYNKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-11(2,9-12)7-6-10-5-4-8-13-10/h10H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile?
2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile has a molecular weight of 181.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(oxolan-2-yl)butanenitrile is sourced from PubChem (CID 65378490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).