2-(2-hydroxyethoxy)-2-methylbutanenitrile

C7H13NO2 — CID 103376048

IUPAC2-(2-hydroxyethoxy)-2-methylbutanenitrile
SMILESCCC(C)(C#N)OCCO
InChIInChI=1S/C7H13NO2/c1-3-7(2,6-8)10-5-4-9/h9H,3-5H2,1-2H3
InChIKeyWMUZEVMGXFYNRA-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.69
Rot. Bonds4

About 2-(2-hydroxyethoxy)-2-methylbutanenitrile

2-(2-hydroxyethoxy)-2-methylbutanenitrile (PubChem CID 103376048) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-2-methylbutanenitrile
PubChem CID103376048
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(2-hydroxyethoxy)-2-methylbutanenitrile
SMILESCCC(C)(C#N)OCCO
InChIInChI=1S/C7H13NO2/c1-3-7(2,6-8)10-5-4-9/h9H,3-5H2,1-2H3
InChIKeyWMUZEVMGXFYNRA-UHFFFAOYSA-N
XLogP0.69
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-trifluoro-2-(3-hydroxypropoxy)-2-methylhexanenitrile
CID 103376454
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2-[(3S)-6-(dibutylamino)-3-methylhex-4-yn-3-yl]oxyethanol
CID 40535283
3-(2-hydroxyethoxy)pentan-3-ol
CID 150775227
1-(2-hydroxyethoxy)propane-1,1-diol
CID 173391432
2-(2-methoxybutan-2-yloxy)ethanol
CID 139725326
3-cyclobutyl-2-(3-hydroxypropoxy)-2-methylpropanenitrile
CID 103376406
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
2-(1-bromo-1-ethoxyethoxy)ethanol
CID 88660199
2-(2,4,7,7,9-pentamethyldec-5-yn-4-yloxy)ethanol
CID 90718832
2-(7-ethylperoxy-2,4,7,9-tetramethyldec-5-yn-4-yl)oxyethanol
CID 88848715

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-2-methylbutanenitrile?
The IUPAC name of 2-(2-hydroxyethoxy)-2-methylbutanenitrile (CID 103376048) is 2-(2-hydroxyethoxy)-2-methylbutanenitrile.
What is the SMILES notation for 2-(2-hydroxyethoxy)-2-methylbutanenitrile?
The canonical SMILES for 2-(2-hydroxyethoxy)-2-methylbutanenitrile is CCC(C)(C#N)OCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-2-methylbutanenitrile?
The InChIKey is WMUZEVMGXFYNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-7(2,6-8)10-5-4-9/h9H,3-5H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)-2-methylbutanenitrile?
2-(2-hydroxyethoxy)-2-methylbutanenitrile has a molecular weight of 143.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-2-methylbutanenitrile is sourced from PubChem (CID 103376048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).