2-(2-hydroxyethoxy)pentanenitrile

C7H13NO2 — CID 103375829

IUPAC2-(2-hydroxyethoxy)pentanenitrile
SMILESCCCC(C#N)OCCO
InChIInChI=1S/C7H13NO2/c1-2-3-7(6-8)10-5-4-9/h7,9H,2-5H2,1H3
InChIKeyCPKPDBSCESTYAU-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.69
Rot. Bonds5

About 2-(2-hydroxyethoxy)pentanenitrile

2-(2-hydroxyethoxy)pentanenitrile (PubChem CID 103375829) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)pentanenitrile.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)pentanenitrile
PubChem CID103375829
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(2-hydroxyethoxy)pentanenitrile
SMILESCCCC(C#N)OCCO
InChIInChI=1S/C7H13NO2/c1-2-3-7(6-8)10-5-4-9/h7,9H,2-5H2,1H3
InChIKeyCPKPDBSCESTYAU-UHFFFAOYSA-N
XLogP0.69
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(2-hydroxyethoxy)-5-methylsulfanylpentanenitrile
CID 103375989
2-(methoxymethoxy)pentanenitrile
CID 87931791
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
2-[(2E)-2-ethylidene-5-(2-hydroxyethoxy)oct-3-ynoxy]ethanol
CID 173477838
2-(2-ethoxyethoxy)octanenitrile
CID 121008530
butane-1,1-diol;2-(2-hydroxyethoxy)ethanol
CID 87212260
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
CID 118255040
3-propoxyhexan-1-ol
CID 139839964
2-[9-(2-hydroxyethoxy)tetradec-7-yn-5-yloxy]ethanol
CID 58463274
2-(3-methylbut-3-enoxy)butanenitrile
CID 114470223
2-docosan-10-yloxyethanol
CID 173141834
(2S)-2-hydroxypentanenitrile
CID 12548639

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)pentanenitrile?
The IUPAC name of 2-(2-hydroxyethoxy)pentanenitrile (CID 103375829) is 2-(2-hydroxyethoxy)pentanenitrile.
What is the SMILES notation for 2-(2-hydroxyethoxy)pentanenitrile?
The canonical SMILES for 2-(2-hydroxyethoxy)pentanenitrile is CCCC(C#N)OCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)pentanenitrile?
The InChIKey is CPKPDBSCESTYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-7(6-8)10-5-4-9/h7,9H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)pentanenitrile?
2-(2-hydroxyethoxy)pentanenitrile has a molecular weight of 143.19 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)pentanenitrile is sourced from PubChem (CID 103375829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).