2-methoxydecanenitrile

C11H21NO — CID 10442370

IUPAC2-methoxydecanenitrile
SMILESCCCCCCCCC(C#N)OC
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-9-11(10-12)13-2/h11H,3-9H2,1-2H3
InChIKeyHUQXVERXPIGPLE-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.28
Rot. Bonds8

About 2-methoxydecanenitrile

2-methoxydecanenitrile (PubChem CID 10442370) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methoxydecanenitrile.

Molecular Properties

Compound Name2-methoxydecanenitrile
PubChem CID10442370
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methoxydecanenitrile
SMILESCCCCCCCCC(C#N)OC
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-9-11(10-12)13-2/h11H,3-9H2,1-2H3
InChIKeyHUQXVERXPIGPLE-UHFFFAOYSA-N
XLogP3.28
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxydecanenitrile 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-methoxydecanenitrile?
The IUPAC name of 2-methoxydecanenitrile (CID 10442370) is 2-methoxydecanenitrile.
What is the SMILES notation for 2-methoxydecanenitrile?
The canonical SMILES for 2-methoxydecanenitrile is CCCCCCCCC(C#N)OC.
What is the InChIKey of 2-methoxydecanenitrile?
The InChIKey is HUQXVERXPIGPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-7-8-9-11(10-12)13-2/h11H,3-9H2,1-2H3.
What are the key properties of 2-methoxydecanenitrile?
2-methoxydecanenitrile has a molecular weight of 183.29 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxydecanenitrile is sourced from PubChem (CID 10442370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).