4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile

C10H19NO — CID 46869995

IUPAC4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile
SMILESCC(C)CC(C#N)OC(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(2)6-9(7-11)12-10(3,4)5/h8-9H,6H2,1-5H3
InChIKeyGORJQLGRSWQMDM-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.74
Rot. Bonds3

About 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile

4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile (PubChem CID 46869995) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile.

Molecular Properties

Compound Name4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile
PubChem CID46869995
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile
SMILESCC(C)CC(C#N)OC(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(2)6-9(7-11)12-10(3,4)5/h8-9H,6H2,1-5H3
InChIKeyGORJQLGRSWQMDM-UHFFFAOYSA-N
XLogP2.74
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile?
The IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile (CID 46869995) is 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile.
What is the SMILES notation for 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile?
The canonical SMILES for 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile is CC(C)CC(C#N)OC(C)(C)C.
What is the InChIKey of 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile?
The InChIKey is GORJQLGRSWQMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)6-9(7-11)12-10(3,4)5/h8-9H,6H2,1-5H3.
What are the key properties of 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile?
4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile has a molecular weight of 169.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylpropan-2-yl)oxy]pentanenitrile is sourced from PubChem (CID 46869995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).