2-methoxy-2-methylpentanenitrile

C7H13NO — CID 66070291

IUPAC2-methoxy-2-methylpentanenitrile
SMILESCCCC(C)(C#N)OC
InChIInChI=1S/C7H13NO/c1-4-5-7(2,6-8)9-3/h4-5H2,1-3H3
InChIKeyZCLAARIDEGQZAZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.72
Rot. Bonds3

About 2-methoxy-2-methylpentanenitrile

2-methoxy-2-methylpentanenitrile (PubChem CID 66070291) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methoxy-2-methylpentanenitrile.

Molecular Properties

Compound Name2-methoxy-2-methylpentanenitrile
PubChem CID66070291
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methoxy-2-methylpentanenitrile
SMILESCCCC(C)(C#N)OC
InChIInChI=1S/C7H13NO/c1-4-5-7(2,6-8)9-3/h4-5H2,1-3H3
InChIKeyZCLAARIDEGQZAZ-UHFFFAOYSA-N
XLogP1.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpentanenitrile?
The IUPAC name of 2-methoxy-2-methylpentanenitrile (CID 66070291) is 2-methoxy-2-methylpentanenitrile.
What is the SMILES notation for 2-methoxy-2-methylpentanenitrile?
The canonical SMILES for 2-methoxy-2-methylpentanenitrile is CCCC(C)(C#N)OC.
What is the InChIKey of 2-methoxy-2-methylpentanenitrile?
The InChIKey is ZCLAARIDEGQZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(2,6-8)9-3/h4-5H2,1-3H3.
What are the key properties of 2-methoxy-2-methylpentanenitrile?
2-methoxy-2-methylpentanenitrile has a molecular weight of 127.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpentanenitrile is sourced from PubChem (CID 66070291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).