2-ethyl-2-methyloxane-4-carbonitrile

C9H15NO — CID 12822947

IUPAC2-ethyl-2-methyloxane-4-carbonitrile
SMILESCCC1(C)CC(C#N)CCO1
InChIInChI=1S/C9H15NO/c1-3-9(2)6-8(7-10)4-5-11-9/h8H,3-6H2,1-2H3
InChIKeyOACPXDLQAONVDK-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.11
Rot. Bonds1

About 2-ethyl-2-methyloxane-4-carbonitrile

2-ethyl-2-methyloxane-4-carbonitrile (PubChem CID 12822947) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-ethyl-2-methyloxane-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-2-methyloxane-4-carbonitrile
PubChem CID12822947
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-ethyl-2-methyloxane-4-carbonitrile
SMILESCCC1(C)CC(C#N)CCO1
InChIInChI=1S/C9H15NO/c1-3-9(2)6-8(7-10)4-5-11-9/h8H,3-6H2,1-2H3
InChIKeyOACPXDLQAONVDK-UHFFFAOYSA-N
XLogP2.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-methyloxane-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyloxane-4-carbonitrile?
The IUPAC name of 2-ethyl-2-methyloxane-4-carbonitrile (CID 12822947) is 2-ethyl-2-methyloxane-4-carbonitrile.
What is the SMILES notation for 2-ethyl-2-methyloxane-4-carbonitrile?
The canonical SMILES for 2-ethyl-2-methyloxane-4-carbonitrile is CCC1(C)CC(C#N)CCO1.
What is the InChIKey of 2-ethyl-2-methyloxane-4-carbonitrile?
The InChIKey is OACPXDLQAONVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(2)6-8(7-10)4-5-11-9/h8H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-methyloxane-4-carbonitrile?
2-ethyl-2-methyloxane-4-carbonitrile has a molecular weight of 153.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyloxane-4-carbonitrile is sourced from PubChem (CID 12822947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).