3-methoxy-3-methylbutanenitrile

C6H11NO — CID 14880677

IUPAC3-methoxy-3-methylbutanenitrile
SMILESCOC(C)(C)CC#N
InChIInChI=1S/C6H11NO/c1-6(2,8-3)4-5-7/h4H2,1-3H3
InChIKeyUMAVTPREOKQGNC-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.33
Rot. Bonds2

About 3-methoxy-3-methylbutanenitrile

3-methoxy-3-methylbutanenitrile (PubChem CID 14880677) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methoxy-3-methylbutanenitrile.

Molecular Properties

Compound Name3-methoxy-3-methylbutanenitrile
PubChem CID14880677
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methoxy-3-methylbutanenitrile
SMILESCOC(C)(C)CC#N
InChIInChI=1S/C6H11NO/c1-6(2,8-3)4-5-7/h4H2,1-3H3
InChIKeyUMAVTPREOKQGNC-UHFFFAOYSA-N
XLogP1.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-2-methylpropanenitrile
CID 12578534
3-(Tert-butoxy)propanenitrile
CID 2760948
1-Methoxycyclobutane-1-carbonitrile
CID 66071122
1-Methoxycyclopropane-1-carbonitrile
CID 103439991
2-(1-Methoxycyclopropyl)acetonitrile
CID 146049032
2-Methoxy-2-methylpentanenitrile
CID 66070291
1,2,3-(Tris-cyanoethoxy) propane
CID 87462461
2-Ethoxy-2-methylpropanenitrile
CID 12578535
2-Methyl-2-propoxypropanenitrile
CID 12578536
2-Ethyl-2-methoxybutanenitrile
CID 13099195
2-Methoxy-2,3-dimethylbutanenitrile
CID 15495968
Acetonitrile tert-butylmethylether
CID 18457533

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylbutanenitrile?
The IUPAC name of 3-methoxy-3-methylbutanenitrile (CID 14880677) is 3-methoxy-3-methylbutanenitrile.
What is the SMILES notation for 3-methoxy-3-methylbutanenitrile?
The canonical SMILES for 3-methoxy-3-methylbutanenitrile is COC(C)(C)CC#N.
What is the InChIKey of 3-methoxy-3-methylbutanenitrile?
The InChIKey is UMAVTPREOKQGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2,8-3)4-5-7/h4H2,1-3H3.
What are the key properties of 3-methoxy-3-methylbutanenitrile?
3-methoxy-3-methylbutanenitrile has a molecular weight of 113.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylbutanenitrile is sourced from PubChem (CID 14880677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).