2-cyclohexyl-2-methoxyacetonitrile

C9H15NO — CID 12841228

IUPAC2-cyclohexyl-2-methoxyacetonitrile
SMILESCOC(C#N)C1CCCCC1
InChIInChI=1S/C9H15NO/c1-11-9(7-10)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3
InChIKeyLZNHCVKUWWGEGZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.11
Rot. Bonds2

About 2-cyclohexyl-2-methoxyacetonitrile

2-cyclohexyl-2-methoxyacetonitrile (PubChem CID 12841228) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxyacetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxyacetonitrile
PubChem CID12841228
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-cyclohexyl-2-methoxyacetonitrile
SMILESCOC(C#N)C1CCCCC1
InChIInChI=1S/C9H15NO/c1-11-9(7-10)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3
InChIKeyLZNHCVKUWWGEGZ-UHFFFAOYSA-N
XLogP2.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxyacetonitrile?
The IUPAC name of 2-cyclohexyl-2-methoxyacetonitrile (CID 12841228) is 2-cyclohexyl-2-methoxyacetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-methoxyacetonitrile?
The canonical SMILES for 2-cyclohexyl-2-methoxyacetonitrile is COC(C#N)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methoxyacetonitrile?
The InChIKey is LZNHCVKUWWGEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-9(7-10)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-2-methoxyacetonitrile?
2-cyclohexyl-2-methoxyacetonitrile has a molecular weight of 153.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxyacetonitrile is sourced from PubChem (CID 12841228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).