2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile

C12H21NO — CID 11052548

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile
SMILESCC1CCC(C(C)C)C(OCC#N)C1
InChIInChI=1S/C12H21NO/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-12H,4-5,7-8H2,1-3H3
InChIKeyLQGJYDISZJRZPB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.99
Rot. Bonds3

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile

2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile (PubChem CID 11052548) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile
PubChem CID11052548
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile
SMILESCC1CCC(C(C)C)C(OCC#N)C1
InChIInChI=1S/C12H21NO/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-12H,4-5,7-8H2,1-3H3
InChIKeyLQGJYDISZJRZPB-UHFFFAOYSA-N
XLogP2.99
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile (CID 11052548) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile is CC1CCC(C(C)C)C(OCC#N)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile?
The InChIKey is LQGJYDISZJRZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-12H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile has a molecular weight of 195.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetonitrile is sourced from PubChem (CID 11052548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).