2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde

C15H22O4 — CID 10849382

IUPAC2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde
SMILESCCOC(COc1ccc(CC)cc1C=O)OCC
InChIInChI=1S/C15H22O4/c1-4-12-7-8-14(13(9-12)10-16)19-11-15(17-5-2)18-6-3/h7-10,15H,4-6,11H2,1-3H3
InChIKeyCHDZTMCDMGCPRB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.84
Rot. Bonds9

About 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde

2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde (PubChem CID 10849382) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde.

Molecular Properties

Compound Name2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde
PubChem CID10849382
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde
SMILESCCOC(COc1ccc(CC)cc1C=O)OCC
InChIInChI=1S/C15H22O4/c1-4-12-7-8-14(13(9-12)10-16)19-11-15(17-5-2)18-6-3/h7-10,15H,4-6,11H2,1-3H3
InChIKeyCHDZTMCDMGCPRB-UHFFFAOYSA-N
XLogP2.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde
CID 59603127
5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
CID 22039827
4-(2,2-diethoxyethoxy)-3-nitrobenzaldehyde
CID 114459531
1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
CID 87515829
CID 87515829
2-(2,2-diethoxyethoxy)-3-methoxy-5-methylbenzaldehyde
CID 88848749
3-(4-ethoxy-3-formylphenyl)propanoic acid
CID 138986606
2-chloro-6-(2,2-diethoxyethoxy)benzaldehyde
CID 114459538
1,1-diethoxyethane;2-[(2,4-diethylphenoxy)methyl]benzaldehyde;ethane-1,2-diol
CID 87257596
1-(2,2-diethoxyethoxy)-2-fluoro-4-nitrobenzene
CID 63630430
2-ethoxy-5-sulfanylbenzaldehyde
CID 155017600
1-(2,2-diethoxyethoxy)-2-iodobenzene
CID 63630107

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde?
The IUPAC name of 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde (CID 10849382) is 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde.
What is the SMILES notation for 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde?
The canonical SMILES for 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde is CCOC(COc1ccc(CC)cc1C=O)OCC.
What is the InChIKey of 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde?
The InChIKey is CHDZTMCDMGCPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-12-7-8-14(13(9-12)10-16)19-11-15(17-5-2)18-6-3/h7-10,15H,4-6,11H2,1-3H3.
What are the key properties of 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde?
2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde has a molecular weight of 266.34 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde is sourced from PubChem (CID 10849382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).