2-butan-2-yloxy-2-methylpropanenitrile

C8H15NO — CID 12578539

IUPAC2-butan-2-yloxy-2-methylpropanenitrile
SMILESCCC(C)OC(C)(C)C#N
InChIInChI=1S/C8H15NO/c1-5-7(2)10-8(3,4)6-9/h7H,5H2,1-4H3
InChIKeySSXWACGUVOKYFE-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.10
Rot. Bonds3

About 2-butan-2-yloxy-2-methylpropanenitrile

2-butan-2-yloxy-2-methylpropanenitrile (PubChem CID 12578539) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-butan-2-yloxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-butan-2-yloxy-2-methylpropanenitrile
PubChem CID12578539
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-butan-2-yloxy-2-methylpropanenitrile
SMILESCCC(C)OC(C)(C)C#N
InChIInChI=1S/C8H15NO/c1-5-7(2)10-8(3,4)6-9/h7H,5H2,1-4H3
InChIKeySSXWACGUVOKYFE-UHFFFAOYSA-N
XLogP2.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Isopropoxypropiononitrile
CID 66969
2-(Tert-butoxy)acetonitrile
CID 12286866
2-Methoxy-2-methylpropanenitrile
CID 12578534
2-Ethoxypropanenitrile
CID 12729368
3-(Tert-butoxy)propanenitrile
CID 2760948
2-Ethoxybutanenitrile
CID 13099193
2-(Propan-2-yloxy)acetonitrile
CID 21391664
Propanenitrile, 2-methyl-3-(1-methylethyl)oxy
CID 524269
2-Propoxy-propanenitrile
CID 18980946
2,2'-Oxydipropanenitrile
CID 21115462
2-(tert-Butoxy)propanenitrile
CID 46869978
Propylidenoxybutyronitril
CID 61702771

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-2-methylpropanenitrile?
The IUPAC name of 2-butan-2-yloxy-2-methylpropanenitrile (CID 12578539) is 2-butan-2-yloxy-2-methylpropanenitrile.
What is the SMILES notation for 2-butan-2-yloxy-2-methylpropanenitrile?
The canonical SMILES for 2-butan-2-yloxy-2-methylpropanenitrile is CCC(C)OC(C)(C)C#N.
What is the InChIKey of 2-butan-2-yloxy-2-methylpropanenitrile?
The InChIKey is SSXWACGUVOKYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-7(2)10-8(3,4)6-9/h7H,5H2,1-4H3.
What are the key properties of 2-butan-2-yloxy-2-methylpropanenitrile?
2-butan-2-yloxy-2-methylpropanenitrile has a molecular weight of 141.21 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-2-methylpropanenitrile is sourced from PubChem (CID 12578539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).