2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile

C13H23NO4 — CID 113426894

IUPAC2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile
SMILESCOCCOCCOCCOCC1(CC#N)CC1
InChIInChI=1S/C13H23NO4/c1-15-6-7-16-8-9-17-10-11-18-12-13(2-3-13)4-5-14/h2-4,6-12H2,1H3
InChIKeyITIBGIAVCRVVAO-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.38
Rot. Bonds12

About 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile

2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile (PubChem CID 113426894) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile
PubChem CID113426894
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile
SMILESCOCCOCCOCCOCC1(CC#N)CC1
InChIInChI=1S/C13H23NO4/c1-15-6-7-16-8-9-17-10-11-18-12-13(2-3-13)4-5-14/h2-4,6-12H2,1H3
InChIKeyITIBGIAVCRVVAO-UHFFFAOYSA-N
XLogP1.38
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65496681
2-[1-(3-methylbut-3-enoxymethyl)cyclopropyl]acetonitrile
CID 114470226
2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile
CID 65494897
2-[1-(methylsulfanyloxymethyl)cyclopropyl]acetonitrile
CID 145478638
N'-hydroxy-2-[1-[2-(2-methoxyethoxy)ethoxymethyl]cyclopropyl]ethanimidamide
CID 113426971
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
2-[1-(2-pyrrolidin-3-ylethoxymethyl)cyclopropyl]acetonitrile
CID 114796160
2-[1-(2-piperidin-2-ylethoxymethyl)cyclopropyl]acetonitrile
CID 65497158
2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile
CID 65494698
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile (CID 113426894) is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile is COCCOCCOCCOCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile?
The InChIKey is ITIBGIAVCRVVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-15-6-7-16-8-9-17-10-11-18-12-13(2-3-13)4-5-14/h2-4,6-12H2,1H3.
What are the key properties of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile?
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile has a molecular weight of 257.33 g/mol, XLogP of 1.38, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 113426894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).