2-methoxy-2,3-dimethylbutanenitrile

C7H13NO — CID 15495968

IUPAC2-methoxy-2,3-dimethylbutanenitrile
SMILESCOC(C)(C#N)C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)7(3,5-8)9-4/h6H,1-4H3
InChIKeyOOEGEUHVPUWGEM-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.57
Rot. Bonds2

About 2-methoxy-2,3-dimethylbutanenitrile

2-methoxy-2,3-dimethylbutanenitrile (PubChem CID 15495968) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methoxy-2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2-methoxy-2,3-dimethylbutanenitrile
PubChem CID15495968
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methoxy-2,3-dimethylbutanenitrile
SMILESCOC(C)(C#N)C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)7(3,5-8)9-4/h6H,1-4H3
InChIKeyOOEGEUHVPUWGEM-UHFFFAOYSA-N
XLogP1.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3-dimethylbutanenitrile?
The IUPAC name of 2-methoxy-2,3-dimethylbutanenitrile (CID 15495968) is 2-methoxy-2,3-dimethylbutanenitrile.
What is the SMILES notation for 2-methoxy-2,3-dimethylbutanenitrile?
The canonical SMILES for 2-methoxy-2,3-dimethylbutanenitrile is COC(C)(C#N)C(C)C.
What is the InChIKey of 2-methoxy-2,3-dimethylbutanenitrile?
The InChIKey is OOEGEUHVPUWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)7(3,5-8)9-4/h6H,1-4H3.
What are the key properties of 2-methoxy-2,3-dimethylbutanenitrile?
2-methoxy-2,3-dimethylbutanenitrile has a molecular weight of 127.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3-dimethylbutanenitrile is sourced from PubChem (CID 15495968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).