2-(2-ethoxyethoxy)octanenitrile

C12H23NO2 — CID 121008530

IUPAC2-(2-ethoxyethoxy)octanenitrile
SMILESCCCCCCC(C#N)OCCOCC
InChIInChI=1S/C12H23NO2/c1-3-5-6-7-8-12(11-13)15-10-9-14-4-2/h12H,3-10H2,1-2H3
InChIKeyLLONSWVFGFTIFG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.90
Rot. Bonds10

About 2-(2-ethoxyethoxy)octanenitrile

2-(2-ethoxyethoxy)octanenitrile (PubChem CID 121008530) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)octanenitrile.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)octanenitrile
PubChem CID121008530
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(2-ethoxyethoxy)octanenitrile
SMILESCCCCCCC(C#N)OCCOCC
InChIInChI=1S/C12H23NO2/c1-3-5-6-7-8-12(11-13)15-10-9-14-4-2/h12H,3-10H2,1-2H3
InChIKeyLLONSWVFGFTIFG-UHFFFAOYSA-N
XLogP2.90
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.90
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-(2-ethoxyethoxy)-4-methylpentanenitrile
CID 10997736
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
CID 175685028
2-(2-ethoxyethoxy)octanal
CID 22457210
6-(2-ethoxyethyl)dodecane
CID 130410548
7-(2-ethoxyethyl)tridecane
CID 130410574
1,4-diethoxydecane
CID 140997951
2-(2-hydroxyethoxy)pentanenitrile
CID 103375829
1-ethoxynonan-4-amine
CID 105129941
2-octadecylicosanenitrile
CID 89491101
2-octyldodecanenitrile
CID 87721815
bis[2-(2-ethoxyethoxy)octyl] carbonate
CID 87841193
2-phenoxynonanenitrile
CID 68573362

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)octanenitrile?
The IUPAC name of 2-(2-ethoxyethoxy)octanenitrile (CID 121008530) is 2-(2-ethoxyethoxy)octanenitrile.
What is the SMILES notation for 2-(2-ethoxyethoxy)octanenitrile?
The canonical SMILES for 2-(2-ethoxyethoxy)octanenitrile is CCCCCCC(C#N)OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)octanenitrile?
The InChIKey is LLONSWVFGFTIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-6-7-8-12(11-13)15-10-9-14-4-2/h12H,3-10H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)octanenitrile?
2-(2-ethoxyethoxy)octanenitrile has a molecular weight of 213.32 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)octanenitrile is sourced from PubChem (CID 121008530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).