3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde

C14H20O5 — CID 87722471

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
SMILESCOCCOCCOCCOc1cccc(C=O)c1
InChIInChI=1S/C14H20O5/c1-16-5-6-17-7-8-18-9-10-19-14-4-2-3-13(11-14)12-15/h2-4,11-12H,5-10H2,1H3
InChIKeyHWCNUDKFKAKOPM-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.56
Rot. Bonds11

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde (PubChem CID 87722471) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
PubChem CID87722471
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
SMILESCOCCOCCOCCOc1cccc(C=O)c1
InChIInChI=1S/C14H20O5/c1-16-5-6-17-7-8-18-9-10-19-14-4-2-3-13(11-14)12-15/h2-4,11-12H,5-10H2,1H3
InChIKeyHWCNUDKFKAKOPM-UHFFFAOYSA-N
XLogP1.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.56
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

methyl 4-[2-(3-formylphenoxy)ethoxy]benzoate
CID 18526173
3-(2-methylsulfanyloxyethoxy)benzaldehyde
CID 143732279
3-butoxybenzaldehyde;ethane
CID 91380350
3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-[2-(2-methylphenoxy)ethoxy]benzaldehyde
CID 2295834
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
3-[4-(dimethylamino)butoxy]benzaldehyde
CID 50874377
N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide
CID 82037059
[2-[2-[2-[2-(3-formylphenoxy)ethoxy]ethoxy]ethoxy]-1-hydroxy-1-phosphorosoethyl]-hydroxy-oxophosphanium
CID 90087163

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde (CID 87722471) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde is COCCOCCOCCOc1cccc(C=O)c1.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde?
The InChIKey is HWCNUDKFKAKOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-16-5-6-17-7-8-18-9-10-19-14-4-2-3-13(11-14)12-15/h2-4,11-12H,5-10H2,1H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde has a molecular weight of 268.31 g/mol, XLogP of 1.56, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde is sourced from PubChem (CID 87722471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).