2,2,2-tri(propan-2-yloxy)acetonitrile

C11H21NO3 — CID 13161379

IUPAC2,2,2-tri(propan-2-yloxy)acetonitrile
SMILESCC(C)OC(C#N)(OC(C)C)OC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)13-11(7-12,14-9(3)4)15-10(5)6/h8-10H,1-6H3
InChIKeyGMYJKKMTTQISKX-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.44
Rot. Bonds6

About 2,2,2-tri(propan-2-yloxy)acetonitrile

2,2,2-tri(propan-2-yloxy)acetonitrile (PubChem CID 13161379) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2,2,2-tri(propan-2-yloxy)acetonitrile.

Molecular Properties

Compound Name2,2,2-tri(propan-2-yloxy)acetonitrile
PubChem CID13161379
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2,2,2-tri(propan-2-yloxy)acetonitrile
SMILESCC(C)OC(C#N)(OC(C)C)OC(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)13-11(7-12,14-9(3)4)15-10(5)6/h8-10H,1-6H3
InChIKeyGMYJKKMTTQISKX-UHFFFAOYSA-N
XLogP2.44
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-tris(2-methylpropoxy)acetonitrile
CID 13161381
alumane;3-oxo-2,2-di(propan-2-yloxy)pentanenitrile
CID 174386789
2-(trichloromethoxy)propane
CID 87418636
2-isocyano-2-propan-2-yloxypropane
CID 22735052
3-cyclopropyl-3-hydroxy-2,2-dimethylpropanenitrile
CID 79132546
1-propan-2-yloxyethane-1,1-diamine
CID 163518548
2-amino-3-methyl-2-propan-2-ylbutanenitrile
CID 71439279
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
2,2-diethoxy-2-methoxyacetonitrile
CID 173433475
2-ethenoxy-2-propan-2-yloxypropane
CID 91036163
2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentanenitrile
CID 64726569
3-[(2-methylpropan-2-yl)oxy]butanenitrile
CID 114995192

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tri(propan-2-yloxy)acetonitrile?
The IUPAC name of 2,2,2-tri(propan-2-yloxy)acetonitrile (CID 13161379) is 2,2,2-tri(propan-2-yloxy)acetonitrile.
What is the SMILES notation for 2,2,2-tri(propan-2-yloxy)acetonitrile?
The canonical SMILES for 2,2,2-tri(propan-2-yloxy)acetonitrile is CC(C)OC(C#N)(OC(C)C)OC(C)C.
What is the InChIKey of 2,2,2-tri(propan-2-yloxy)acetonitrile?
The InChIKey is GMYJKKMTTQISKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)13-11(7-12,14-9(3)4)15-10(5)6/h8-10H,1-6H3.
What are the key properties of 2,2,2-tri(propan-2-yloxy)acetonitrile?
2,2,2-tri(propan-2-yloxy)acetonitrile has a molecular weight of 215.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tri(propan-2-yloxy)acetonitrile is sourced from PubChem (CID 13161379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).