2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde

C56H70O18 — CID 11389108

IUPAC2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde
SMILESO=Cc1ccccc1OCCOCCOc1ccc(OCCOCCOCCOCCOc2ccc(OCCOCCOCCOCCOc3ccc(OCCOCCOc4ccccc4C=O)cc3)cc2)cc1
InChIInChI=1S/C56H70O18/c57-45-47-5-1-3-7-55(47)73-43-35-65-33-41-71-53-17-13-51(14-18-53)69-39-31-63-27-23-59-21-25-61-29-37-67-49-9-11-50(12-10-49)68-38-30-62-26-22-60-24-28-64-32-40-70-52-15-19-54(20-16-52)72-42-34-66-36-44-74-56-8-4-2-6-48(56)46-58/h1-20,45-46H,21-44H2
InChIKeyHOCGJLSIZRVXOD-UHFFFAOYSA-N
MW1031.16 g/mol
LogP7.28
Rot. Bonds46

About 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde

2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde (PubChem CID 11389108) has the molecular formula C56H70O18 and a molecular weight of 1031.16 g/mol. Its IUPAC name is 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde
PubChem CID11389108
Molecular FormulaC56H70O18
Molecular Weight1031.16 g/mol
Exact Mass1030.46
IUPAC Name2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde
SMILESO=Cc1ccccc1OCCOCCOc1ccc(OCCOCCOCCOCCOc2ccc(OCCOCCOCCOCCOc3ccc(OCCOCCOc4ccccc4C=O)cc3)cc2)cc1
InChIInChI=1S/C56H70O18/c57-45-47-5-1-3-7-55(47)73-43-35-65-33-41-71-53-17-13-51(14-18-53)69-39-31-63-27-23-59-21-25-61-29-37-67-49-9-11-50(12-10-49)68-38-30-62-26-22-60-24-28-64-32-40-70-52-15-19-54(20-16-52)72-42-34-66-36-44-74-56-8-4-2-6-48(56)46-58/h1-20,45-46H,21-44H2
InChIKeyHOCGJLSIZRVXOD-UHFFFAOYSA-N
XLogP7.28
TPSA181.82 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds46
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001031.16
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde with MolForge

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Related Compounds

2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]benzaldehyde
CID 2231461
2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde
CID 71402775
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 15933584
2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde
CID 60643670
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-[2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethoxy]ethoxy]benzaldehyde
CID 7394484
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzaldehyde
CID 7394469
2-[2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
CID 2993790
2-(2-phenoxyethoxy)ethyl formate
CID 88533287

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde?
The IUPAC name of 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde (CID 11389108) is 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde.
What is the SMILES notation for 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde?
The canonical SMILES for 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde is O=Cc1ccccc1OCCOCCOc1ccc(OCCOCCOCCOCCOc2ccc(OCCOCCOCCOCCOc3ccc(OCCOCCOc4ccccc4C=O)cc3)cc2)cc1.
What is the InChIKey of 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde?
The InChIKey is HOCGJLSIZRVXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H70O18/c57-45-47-5-1-3-7-55(47)73-43-35-65-33-41-71-53-17-13-51(14-18-53)69-39-31-63-27-23-59-21-25-61-29-37-67-49-9-11-50(12-10-49)68-38-30-62-26-22-60-24-28-64-32-40-70-52-15-19-54(20-16-52)72-42-34-66-36-44-74-56-8-4-2-6-48(56)46-58/h1-20,45-46H,21-44H2.
What are the key properties of 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde?
2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde has a molecular weight of 1031.16 g/mol, XLogP of 7.28, 46 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde is sourced from PubChem (CID 11389108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).