2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde

C19H28I2O7 — CID 71402775

IUPAC2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOCCOCCI)cc1OCCOCCOCCI
InChIInChI=1S/C19H28I2O7/c20-3-5-23-7-9-25-11-13-27-18-2-1-17(16-22)19(15-18)28-14-12-26-10-8-24-6-4-21/h1-2,15-16H,3-14H2
InChIKeyAMBCZNMWLHMZHY-UHFFFAOYSA-N
MW622.23 g/mol
LogP3.19
Rot. Bonds19

About 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde

2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde (PubChem CID 71402775) has the molecular formula C19H28I2O7 and a molecular weight of 622.23 g/mol. Its IUPAC name is 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde.

Molecular Properties

Compound Name2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde
PubChem CID71402775
Molecular FormulaC19H28I2O7
Molecular Weight622.23 g/mol
Exact Mass621.99
IUPAC Name2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOCCOCCI)cc1OCCOCCOCCI
InChIInChI=1S/C19H28I2O7/c20-3-5-23-7-9-25-11-13-27-18-2-1-17(16-22)19(15-18)28-14-12-26-10-8-24-6-4-21/h1-2,15-16H,3-14H2
InChIKeyAMBCZNMWLHMZHY-UHFFFAOYSA-N
XLogP3.19
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 61060048
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
2-[2-(3-formyl-4-methylphenoxy)ethoxy]ethoxy thiohypoiodite
CID 155583482
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
4-propoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
CID 116616036
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde?
The IUPAC name of 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde (CID 71402775) is 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde.
What is the SMILES notation for 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde?
The canonical SMILES for 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde is O=Cc1ccc(OCCOCCOCCI)cc1OCCOCCOCCI.
What is the InChIKey of 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde?
The InChIKey is AMBCZNMWLHMZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28I2O7/c20-3-5-23-7-9-25-11-13-27-18-2-1-17(16-22)19(15-18)28-14-12-26-10-8-24-6-4-21/h1-2,15-16H,3-14H2.
What are the key properties of 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde?
2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde has a molecular weight of 622.23 g/mol, XLogP of 3.19, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde is sourced from PubChem (CID 71402775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).