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

C24H30O8 — CID 590973

IUPAC4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOCCOCCOCCOCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H30O8/c25-19-21-1-5-23(6-2-21)31-17-15-29-13-11-27-9-10-28-12-14-30-16-18-32-24-7-3-22(20-26)4-8-24/h1-8,19-20H,9-18H2
InChIKeyAQKHOFCYWXNFTN-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.84
Rot. Bonds19

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

4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde (PubChem CID 590973) has the molecular formula C24H30O8 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde
PubChem CID590973
Molecular FormulaC24H30O8
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC Name4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOCCOCCOCCOCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H30O8/c25-19-21-1-5-23(6-2-21)31-17-15-29-13-11-27-9-10-28-12-14-30-16-18-32-24-7-3-22(20-26)4-8-24/h1-8,19-20H,9-18H2
InChIKeyAQKHOFCYWXNFTN-UHFFFAOYSA-N
XLogP2.84
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde?
The IUPAC name of 4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde (CID 590973) is 4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde is O=Cc1ccc(OCCOCCOCCOCCOCCOc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde?
The InChIKey is AQKHOFCYWXNFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O8/c25-19-21-1-5-23(6-2-21)31-17-15-29-13-11-27-9-10-28-12-14-30-16-18-32-24-7-3-22(20-26)4-8-24/h1-8,19-20H,9-18H2.
What are the key properties of 4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde?
4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde has a molecular weight of 446.50 g/mol, XLogP of 2.84, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzaldehyde is sourced from PubChem (CID 590973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).