4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile

C16H20N2O4 — CID 10828338

IUPAC4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile
SMILESCCOCCOc1cc(C#N)c(C#N)cc1OCCOCC
InChIInChI=1S/C16H20N2O4/c1-3-19-5-7-21-15-9-13(11-17)14(12-18)10-16(15)22-8-6-20-4-2/h9-10H,3-8H2,1-2H3
InChIKeyUZCIFLACMSSOTK-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.26
Rot. Bonds10

About 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile

4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile (PubChem CID 10828338) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile
PubChem CID10828338
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile
SMILESCCOCCOc1cc(C#N)c(C#N)cc1OCCOCC
InChIInChI=1S/C16H20N2O4/c1-3-19-5-7-21-15-9-13(11-17)14(12-18)10-16(15)22-8-6-20-4-2/h9-10H,3-8H2,1-2H3
InChIKeyUZCIFLACMSSOTK-UHFFFAOYSA-N
XLogP2.26
TPSA84.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-5-fluorobenzonitrile
CID 63669220
2-(2-ethoxyethoxy)-5-nitrobenzonitrile
CID 113324288
2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile
CID 67399827
5-fluoro-2-(2-propoxyethoxy)benzonitrile
CID 63684547
2-amino-6-chloro-3-(2-ethoxyethoxy)benzonitrile
CID 82012914
3-cyano-4-(2-ethoxyethoxy)-N-pyridin-2-ylbenzamide
CID 175189207
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
8-(2-ethoxyethoxy)quinoline-2-carbonitrile
CID 70500628
ethyl 4-(4,5-dicyano-2-methoxyphenoxy)butanoate
CID 100997472
4-(3-ethoxypropoxy)-3-methoxybenzonitrile
CID 65175346
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
2-(3-chloroprop-1-ynyl)-1-(2-ethoxyethoxy)-4-methylbenzene
CID 55025075

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile (CID 10828338) is 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile is CCOCCOc1cc(C#N)c(C#N)cc1OCCOCC.
What is the InChIKey of 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile?
The InChIKey is UZCIFLACMSSOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-19-5-7-21-15-9-13(11-17)14(12-18)10-16(15)22-8-6-20-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile?
4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile has a molecular weight of 304.35 g/mol, XLogP of 2.26, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-ethoxyethoxy)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 10828338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).