5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde

C19H26O5 — CID 58281074

IUPAC5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde
SMILESCCCC(=O)CCCC(=O)c1ccc(OCCOCC)cc1C=O
InChIInChI=1S/C19H26O5/c1-3-6-16(21)7-5-8-19(22)18-10-9-17(13-15(18)14-20)24-12-11-23-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyUUXUMRNUZHAJHK-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.64
Rot. Bonds13

About 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde

5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde (PubChem CID 58281074) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde
PubChem CID58281074
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde
SMILESCCCC(=O)CCCC(=O)c1ccc(OCCOCC)cc1C=O
InChIInChI=1S/C19H26O5/c1-3-6-16(21)7-5-8-19(22)18-10-9-17(13-15(18)14-20)24-12-11-23-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyUUXUMRNUZHAJHK-UHFFFAOYSA-N
XLogP3.64
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde?
The IUPAC name of 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde (CID 58281074) is 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde.
What is the SMILES notation for 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde?
The canonical SMILES for 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde is CCCC(=O)CCCC(=O)c1ccc(OCCOCC)cc1C=O.
What is the InChIKey of 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde?
The InChIKey is UUXUMRNUZHAJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-3-6-16(21)7-5-8-19(22)18-10-9-17(13-15(18)14-20)24-12-11-23-4-2/h9-10,13-14H,3-8,11-12H2,1-2H3.
What are the key properties of 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde?
5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde has a molecular weight of 334.41 g/mol, XLogP of 3.64, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)-2-(5-oxooctanoyl)benzaldehyde is sourced from PubChem (CID 58281074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).