4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile

C19H29NO7 — CID 10572027

IUPAC4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOCCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C19H29NO7/c20-17-18-1-3-19(4-2-18)27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22-6-5-21/h1-4,21H,5-16H2
InChIKeyACCHNZWIEHQSKK-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.01
Rot. Bonds18

About 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile

4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile (PubChem CID 10572027) has the molecular formula C19H29NO7 and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
PubChem CID10572027
Molecular FormulaC19H29NO7
Molecular Weight383.44 g/mol
Exact Mass383.19
IUPAC Name4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOCCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C19H29NO7/c20-17-18-1-3-19(4-2-18)27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22-6-5-21/h1-4,21H,5-16H2
InChIKeyACCHNZWIEHQSKK-UHFFFAOYSA-N
XLogP1.01
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
CID 43289691
4-(5-hydroxypentoxy)benzonitrile
CID 62228630
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
4-[3-(2-butoxyethoxy)propoxy]benzonitrile
CID 43289689
2-(2-phenoxyethoxy)ethanol
CID 7715
2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile
CID 102674632
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol
CID 57157923

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile (CID 10572027) is 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile is N#Cc1ccc(OCCOCCOCCOCCOCCOCCO)cc1.
What is the InChIKey of 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile?
The InChIKey is ACCHNZWIEHQSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO7/c20-17-18-1-3-19(4-2-18)27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22-6-5-21/h1-4,21H,5-16H2.
What are the key properties of 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile?
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile has a molecular weight of 383.44 g/mol, XLogP of 1.01, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile is sourced from PubChem (CID 10572027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).