2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene

C23H40O9 — CID 171766048

IUPAC2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
SMILESCOC(COCCOCCOCCOCCOCCOCCOCc1ccccc1)OC
InChIInChI=1S/C23H40O9/c1-24-23(25-2)21-32-19-17-30-15-13-28-11-9-26-8-10-27-12-14-29-16-18-31-20-22-6-4-3-5-7-22/h3-7,23H,8-21H2,1-2H3
InChIKeyMKFZEVFQHDGOJF-UHFFFAOYSA-N
MW460.56 g/mol
LogP1.92
Rot. Bonds24

About 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene

2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene (PubChem CID 171766048) has the molecular formula C23H40O9 and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
PubChem CID171766048
Molecular FormulaC23H40O9
Molecular Weight460.56 g/mol
Exact Mass460.27
IUPAC Name2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
SMILESCOC(COCCOCCOCCOCCOCCOCCOCc1ccccc1)OC
InChIInChI=1S/C23H40O9/c1-24-23(25-2)21-32-19-17-30-15-13-28-11-9-26-8-10-27-12-14-29-16-18-31-20-22-6-4-3-5-7-22/h3-7,23H,8-21H2,1-2H3
InChIKeyMKFZEVFQHDGOJF-UHFFFAOYSA-N
XLogP1.92
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid
CID 134423784
(2S)-N-(2,2-dimethoxyethyl)-1-methoxy-4-phenylmethoxybutan-2-amine
CID 67080067
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451
(4-hydroperoxy-4-methoxybutoxy)methylbenzene
CID 102051032
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
CID 73319702
2-hexadecoxyethoxymethylbenzene
CID 19965709

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene (CID 171766048) is 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene is COC(COCCOCCOCCOCCOCCOCCOCc1ccccc1)OC.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene?
The InChIKey is MKFZEVFQHDGOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O9/c1-24-23(25-2)21-32-19-17-30-15-13-28-11-9-26-8-10-27-12-14-29-16-18-31-20-22-6-4-3-5-7-22/h3-7,23H,8-21H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene?
2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene has a molecular weight of 460.56 g/mol, XLogP of 1.92, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene is sourced from PubChem (CID 171766048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).