4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde

C15H22O5 — CID 104562818

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
SMILESCOCCOCCOCCOc1ccc(C=O)cc1C
InChIInChI=1S/C15H22O5/c1-13-11-14(12-16)3-4-15(13)20-10-9-19-8-7-18-6-5-17-2/h3-4,11-12H,5-10H2,1-2H3
InChIKeyKDSOHXLIRNAJCU-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.87
Rot. Bonds11

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde (PubChem CID 104562818) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
PubChem CID104562818
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
SMILESCOCCOCCOCCOc1ccc(C=O)cc1C
InChIInChI=1S/C15H22O5/c1-13-11-14(12-16)3-4-15(13)20-10-9-19-8-7-18-6-5-17-2/h3-4,11-12H,5-10H2,1-2H3
InChIKeyKDSOHXLIRNAJCU-UHFFFAOYSA-N
XLogP1.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
3-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 54794840
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
3-iodo-4-(2-methoxyethoxy)benzaldehyde
CID 169488676
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
4-methoxy-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490686
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde (CID 104562818) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde is COCCOCCOCCOc1ccc(C=O)cc1C.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde?
The InChIKey is KDSOHXLIRNAJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-13-11-14(12-16)3-4-15(13)20-10-9-19-8-7-18-6-5-17-2/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 1.87, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 104562818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).