2-(3-methoxy-3-methylbutoxy)propanenitrile

C9H17NO2 — CID 106665690

IUPAC2-(3-methoxy-3-methylbutoxy)propanenitrile
SMILESCOC(C)(C)CCOC(C)C#N
InChIInChI=1S/C9H17NO2/c1-8(7-10)12-6-5-9(2,3)11-4/h8H,5-6H2,1-4H3
InChIKeyOWFCTVBAUGWMQV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.73
Rot. Bonds5

About 2-(3-methoxy-3-methylbutoxy)propanenitrile

2-(3-methoxy-3-methylbutoxy)propanenitrile (PubChem CID 106665690) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)propanenitrile.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)propanenitrile
PubChem CID106665690
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(3-methoxy-3-methylbutoxy)propanenitrile
SMILESCOC(C)(C)CCOC(C)C#N
InChIInChI=1S/C9H17NO2/c1-8(7-10)12-6-5-9(2,3)11-4/h8H,5-6H2,1-4H3
InChIKeyOWFCTVBAUGWMQV-UHFFFAOYSA-N
XLogP1.73
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile
CID 112587638
3-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421308
3-(3-methoxy-3-methylbutoxy)-N-methylbutan-2-amine
CID 106665253
4-(3-methoxy-3-methylbutoxy)pentan-1-amine
CID 106667811
4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine
CID 106665316
4-methoxy-4-methylpentanenitrile
CID 89129728
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2-[(2-methoxy-2-methylpropyl)amino]propanenitrile
CID 104760516
2,4-dimethoxy-4-methylpentanenitrile
CID 106676522
3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
CID 106665054
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 106668524

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)propanenitrile?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)propanenitrile (CID 106665690) is 2-(3-methoxy-3-methylbutoxy)propanenitrile.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)propanenitrile?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)propanenitrile is COC(C)(C)CCOC(C)C#N.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)propanenitrile?
The InChIKey is OWFCTVBAUGWMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(7-10)12-6-5-9(2,3)11-4/h8H,5-6H2,1-4H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)propanenitrile?
2-(3-methoxy-3-methylbutoxy)propanenitrile has a molecular weight of 171.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)propanenitrile is sourced from PubChem (CID 106665690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).