2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene

C44H82O19 — CID 139525451

IUPAC2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCC(COCc1ccccc1)OCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C44H82O19/c1-45-8-10-47-12-14-49-16-18-51-20-22-53-24-25-55-28-29-57-32-33-59-36-37-61-41-44(42-62-40-43-6-4-3-5-7-43)63-39-38-60-35-34-58-31-30-56-27-26-54-23-21-52-19-17-50-15-13-48-11-9-46-2/h3-7,44H,8-42H2,1-2H3
InChIKeyICEFQQRQWSQHCK-UHFFFAOYSA-N
MW915.12 g/mol
LogP2.13
Rot. Bonds55

About 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene

2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene (PubChem CID 139525451) has the molecular formula C44H82O19 and a molecular weight of 915.12 g/mol. Its IUPAC name is 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene.

Molecular Properties

Compound Name2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
PubChem CID139525451
Molecular FormulaC44H82O19
Molecular Weight915.12 g/mol
Exact Mass914.55
IUPAC Name2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCC(COCc1ccccc1)OCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C44H82O19/c1-45-8-10-47-12-14-49-16-18-51-20-22-53-24-25-55-28-29-57-32-33-59-36-37-61-41-44(42-62-40-43-6-4-3-5-7-43)63-39-38-60-35-34-58-31-30-56-27-26-54-23-21-52-19-17-50-15-13-48-11-9-46-2/h3-7,44H,8-42H2,1-2H3
InChIKeyICEFQQRQWSQHCK-UHFFFAOYSA-N
XLogP2.13
TPSA175.37 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds55
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.12
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine
CID 118110417
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
[(2S)-3-methoxy-2-octadecoxypropoxy]methylbenzene
CID 167022005
dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate
CID 88543969
[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
CID 140879389
2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 171766048
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
methyl 2-(1-octadecoxy-3-phenylmethoxypropan-2-yl)oxyacetate
CID 54329690
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
8-[2-(7-carboxyheptoxy)-3-[2-[2-[2-(2-phenylmethoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]propoxy]octanoic acid
CID 169059619

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene?
The IUPAC name of 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene (CID 139525451) is 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene.
What is the SMILES notation for 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene?
The canonical SMILES for 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene is COCCOCCOCCOCCOCCOCCOCCOCCOCC(COCc1ccccc1)OCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene?
The InChIKey is ICEFQQRQWSQHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H82O19/c1-45-8-10-47-12-14-49-16-18-51-20-22-53-24-25-55-28-29-57-32-33-59-36-37-61-41-44(42-62-40-43-6-4-3-5-7-43)63-39-38-60-35-34-58-31-30-56-27-26-54-23-21-52-19-17-50-15-13-48-11-9-46-2/h3-7,44H,8-42H2,1-2H3.
What are the key properties of 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene?
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene has a molecular weight of 915.12 g/mol, XLogP of 2.13, 55 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene is sourced from PubChem (CID 139525451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).