4-methoxy-2,2,4-trimethylpentanenitrile

C9H17NO — CID 18737280

IUPAC4-methoxy-2,2,4-trimethylpentanenitrile
SMILESCOC(C)(C)CC(C)(C)C#N
InChIInChI=1S/C9H17NO/c1-8(2,7-10)6-9(3,4)11-5/h6H2,1-5H3
InChIKeyIJEPBCARJZEHTD-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.35
Rot. Bonds3

About 4-methoxy-2,2,4-trimethylpentanenitrile

4-methoxy-2,2,4-trimethylpentanenitrile (PubChem CID 18737280) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methoxy-2,2,4-trimethylpentanenitrile.

Molecular Properties

Compound Name4-methoxy-2,2,4-trimethylpentanenitrile
PubChem CID18737280
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methoxy-2,2,4-trimethylpentanenitrile
SMILESCOC(C)(C)CC(C)(C)C#N
InChIInChI=1S/C9H17NO/c1-8(2,7-10)6-9(3,4)11-5/h6H2,1-5H3
InChIKeyIJEPBCARJZEHTD-UHFFFAOYSA-N
XLogP2.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-methoxy-2,2,4-trimethylpentanenitrile?
The IUPAC name of 4-methoxy-2,2,4-trimethylpentanenitrile (CID 18737280) is 4-methoxy-2,2,4-trimethylpentanenitrile.
What is the SMILES notation for 4-methoxy-2,2,4-trimethylpentanenitrile?
The canonical SMILES for 4-methoxy-2,2,4-trimethylpentanenitrile is COC(C)(C)CC(C)(C)C#N.
What is the InChIKey of 4-methoxy-2,2,4-trimethylpentanenitrile?
The InChIKey is IJEPBCARJZEHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2,7-10)6-9(3,4)11-5/h6H2,1-5H3.
What are the key properties of 4-methoxy-2,2,4-trimethylpentanenitrile?
4-methoxy-2,2,4-trimethylpentanenitrile has a molecular weight of 155.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,4-trimethylpentanenitrile is sourced from PubChem (CID 18737280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).