2-(methoxymethyl)-2-methylpentanenitrile

C8H15NO — CID 139652436

IUPAC2-(methoxymethyl)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)COC
InChIInChI=1S/C8H15NO/c1-4-5-8(2,6-9)7-10-3/h4-5,7H2,1-3H3
InChIKeyURVADGGVMAPPPH-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds4

About 2-(methoxymethyl)-2-methylpentanenitrile

2-(methoxymethyl)-2-methylpentanenitrile (PubChem CID 139652436) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methylpentanenitrile
PubChem CID139652436
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(methoxymethyl)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)COC
InChIInChI=1S/C8H15NO/c1-4-5-8(2,6-9)7-10-3/h4-5,7H2,1-3H3
InChIKeyURVADGGVMAPPPH-UHFFFAOYSA-N
XLogP1.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(methoxymethyl)-2-methylpentanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

1-methoxy-2,2-dimethylpentane
CID 57120820
3-methoxy-2,2-bis(methoxymethyl)propanenitrile
CID 86219819
2,5-dimethyl-2-propylheptanenitrile
CID 176966575
2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride
CID 88790067
2,3-dimethoxy-2-methylpropanenitrile
CID 66070918
2,2-dimethylpentyl cyanate
CID 87579409
2-ethyl-2-methylhexanenitrile
CID 57197936
1-methoxy-2,2-dimethylpropane
CID 160639316
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
ethane;2-ethyl-2-methylbutanenitrile
CID 162762947
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443
4-(methoxymethyl)-4-methylheptanedinitrile
CID 123915841

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-methylpentanenitrile?
The IUPAC name of 2-(methoxymethyl)-2-methylpentanenitrile (CID 139652436) is 2-(methoxymethyl)-2-methylpentanenitrile.
What is the SMILES notation for 2-(methoxymethyl)-2-methylpentanenitrile?
The canonical SMILES for 2-(methoxymethyl)-2-methylpentanenitrile is CCCC(C)(C#N)COC.
What is the InChIKey of 2-(methoxymethyl)-2-methylpentanenitrile?
The InChIKey is URVADGGVMAPPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(2,6-9)7-10-3/h4-5,7H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-2-methylpentanenitrile?
2-(methoxymethyl)-2-methylpentanenitrile has a molecular weight of 141.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methylpentanenitrile is sourced from PubChem (CID 139652436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).