4-methoxy-2,3-dimethylpentanenitrile

C8H15NO — CID 23471323

IUPAC4-methoxy-2,3-dimethylpentanenitrile
SMILESCOC(C)C(C)C(C)C#N
InChIInChI=1S/C8H15NO/c1-6(5-9)7(2)8(3)10-4/h6-8H,1-4H3
InChIKeyRAPGIGAUELNBKN-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.82
Rot. Bonds3

About 4-methoxy-2,3-dimethylpentanenitrile

4-methoxy-2,3-dimethylpentanenitrile (PubChem CID 23471323) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylpentanenitrile.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylpentanenitrile
PubChem CID23471323
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-methoxy-2,3-dimethylpentanenitrile
SMILESCOC(C)C(C)C(C)C#N
InChIInChI=1S/C8H15NO/c1-6(5-9)7(2)8(3)10-4/h6-8H,1-4H3
InChIKeyRAPGIGAUELNBKN-UHFFFAOYSA-N
XLogP1.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylpentanenitrile?
The IUPAC name of 4-methoxy-2,3-dimethylpentanenitrile (CID 23471323) is 4-methoxy-2,3-dimethylpentanenitrile.
What is the SMILES notation for 4-methoxy-2,3-dimethylpentanenitrile?
The canonical SMILES for 4-methoxy-2,3-dimethylpentanenitrile is COC(C)C(C)C(C)C#N.
What is the InChIKey of 4-methoxy-2,3-dimethylpentanenitrile?
The InChIKey is RAPGIGAUELNBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(5-9)7(2)8(3)10-4/h6-8H,1-4H3.
What are the key properties of 4-methoxy-2,3-dimethylpentanenitrile?
4-methoxy-2,3-dimethylpentanenitrile has a molecular weight of 141.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylpentanenitrile is sourced from PubChem (CID 23471323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).