2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile

C9H17NO2 — CID 112587638

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile
SMILESCC(C#N)OCCOC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-8(7-10)11-5-6-12-9(2,3)4/h8H,5-6H2,1-4H3
InChIKeyQDJOBTYJOYDXNA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.73
Rot. Bonds4

About 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile (PubChem CID 112587638) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile
PubChem CID112587638
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile
SMILESCC(C#N)OCCOC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-8(7-10)11-5-6-12-9(2,3)4/h8H,5-6H2,1-4H3
InChIKeyQDJOBTYJOYDXNA-UHFFFAOYSA-N
XLogP1.73
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis(cyanoethoxy)propane
CID 13225970
1,2,3-Tris(3-cyanethoxy)propan
CID 14009413
3-[3-(2-Cyanoethoxy)butan-2-yloxy]propanenitrile
CID 265663
1,4,7,10,13-Pentaoxacyclopentadecane-2-carbonitrile
CID 101545908
3-(2-Methoxy-1-methylethoxy)propanenitrile
CID 566630
(2R,3S)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedinitrile
CID 21600346
2-Butan-2-yloxy-2-methylpropanenitrile
CID 12578539
2-(2-Ethoxyethoxy)propanenitrile
CID 13848822
3-Ethoxy-2-methoxypropanenitrile
CID 20270699
2-Hydroxy-2-methylpropanenitrile;2-propan-2-yloxypropane
CID 23286277
2-[2-(1-Cyanoethoxy)ethoxy]propanenitrile
CID 23458176
3-(2-Butan-2-yloxyethoxy)propanenitrile
CID 57740425

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile (CID 112587638) is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile is CC(C#N)OCCOC(C)(C)C.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile?
The InChIKey is QDJOBTYJOYDXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(7-10)11-5-6-12-9(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile?
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile has a molecular weight of 171.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile is sourced from PubChem (CID 112587638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).