4-ethoxy-2-ethylpentanenitrile

C9H17NO — CID 129286726

IUPAC4-ethoxy-2-ethylpentanenitrile
SMILESCCOC(C)CC(C#N)CC
InChIInChI=1S/C9H17NO/c1-4-9(7-10)6-8(3)11-5-2/h8-9H,4-6H2,1-3H3
InChIKeyLSAXSRIGLFWWEL-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.35
Rot. Bonds5

About 4-ethoxy-2-ethylpentanenitrile

4-ethoxy-2-ethylpentanenitrile (PubChem CID 129286726) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-ethoxy-2-ethylpentanenitrile.

Molecular Properties

Compound Name4-ethoxy-2-ethylpentanenitrile
PubChem CID129286726
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-ethoxy-2-ethylpentanenitrile
SMILESCCOC(C)CC(C#N)CC
InChIInChI=1S/C9H17NO/c1-4-9(7-10)6-8(3)11-5-2/h8-9H,4-6H2,1-3H3
InChIKeyLSAXSRIGLFWWEL-UHFFFAOYSA-N
XLogP2.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethylpentanenitrile?
The IUPAC name of 4-ethoxy-2-ethylpentanenitrile (CID 129286726) is 4-ethoxy-2-ethylpentanenitrile.
What is the SMILES notation for 4-ethoxy-2-ethylpentanenitrile?
The canonical SMILES for 4-ethoxy-2-ethylpentanenitrile is CCOC(C)CC(C#N)CC.
What is the InChIKey of 4-ethoxy-2-ethylpentanenitrile?
The InChIKey is LSAXSRIGLFWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(7-10)6-8(3)11-5-2/h8-9H,4-6H2,1-3H3.
What are the key properties of 4-ethoxy-2-ethylpentanenitrile?
4-ethoxy-2-ethylpentanenitrile has a molecular weight of 155.24 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethylpentanenitrile is sourced from PubChem (CID 129286726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).