3-(2-methoxyethoxy)pentanenitrile

C8H15NO2 — CID 43175037

IUPAC3-(2-methoxyethoxy)pentanenitrile
SMILESCCC(CC#N)OCCOC
InChIInChI=1S/C8H15NO2/c1-3-8(4-5-9)11-7-6-10-2/h8H,3-4,6-7H2,1-2H3
InChIKeyHQMJWSKEUGNJTP-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.34
Rot. Bonds6

About 3-(2-methoxyethoxy)pentanenitrile

3-(2-methoxyethoxy)pentanenitrile (PubChem CID 43175037) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)pentanenitrile.

Molecular Properties

Compound Name3-(2-methoxyethoxy)pentanenitrile
PubChem CID43175037
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-(2-methoxyethoxy)pentanenitrile
SMILESCCC(CC#N)OCCOC
InChIInChI=1S/C8H15NO2/c1-3-8(4-5-9)11-7-6-10-2/h8H,3-4,6-7H2,1-2H3
InChIKeyHQMJWSKEUGNJTP-UHFFFAOYSA-N
XLogP1.34
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethoxypropanenitrile
CID 13721252
1,2-Bis(cyanoethoxy)propane
CID 13225970
3-[3-(2-Cyanoethoxy)butan-2-yloxy]propanenitrile
CID 265663
2,3-Dimethoxy succinonitrile
CID 129694571
2-(2-Ethoxyethoxy)propanedinitrile
CID 134856289
3-(2-Methoxy-1-methylethoxy)propanenitrile
CID 566630
(2R,3S)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedinitrile
CID 21600346
2-(2-Ethoxyethoxy)propanenitrile
CID 13848822
3-[2-(2-Methoxyethoxy)ethoxy]propanenitrile
CID 14634520
3-Ethoxy-2-methoxypropanenitrile
CID 20270699
3,4-Dimethoxybutanenitrile
CID 22904222
2-[2-(1-Cyanoethoxy)ethoxy]propanenitrile
CID 23458176

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)pentanenitrile?
The IUPAC name of 3-(2-methoxyethoxy)pentanenitrile (CID 43175037) is 3-(2-methoxyethoxy)pentanenitrile.
What is the SMILES notation for 3-(2-methoxyethoxy)pentanenitrile?
The canonical SMILES for 3-(2-methoxyethoxy)pentanenitrile is CCC(CC#N)OCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)pentanenitrile?
The InChIKey is HQMJWSKEUGNJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8(4-5-9)11-7-6-10-2/h8H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)pentanenitrile?
3-(2-methoxyethoxy)pentanenitrile has a molecular weight of 157.21 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)pentanenitrile is sourced from PubChem (CID 43175037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).