2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde

C17H22O3 — CID 143712949

IUPAC2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde
SMILESCC/C=C\C=C(/C)COc1cccc(C=O)c1OCC
InChIInChI=1S/C17H22O3/c1-4-6-7-9-14(3)13-20-16-11-8-10-15(12-18)17(16)19-5-2/h6-12H,4-5,13H2,1-3H3/b7-6-,14-9+
InChIKeyRIWASLFJVCGKIM-JMMFLXOCSA-N
MW274.36 g/mol
LogP4.19
Rot. Bonds8

About 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde

2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde (PubChem CID 143712949) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde.

Molecular Properties

Compound Name2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde
PubChem CID143712949
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde
SMILESCC/C=C\C=C(/C)COc1cccc(C=O)c1OCC
InChIInChI=1S/C17H22O3/c1-4-6-7-9-14(3)13-20-16-11-8-10-15(12-18)17(16)19-5-2/h6-12H,4-5,13H2,1-3H3/b7-6-,14-9+
InChIKeyRIWASLFJVCGKIM-JMMFLXOCSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
(2-ethoxy-6-formylphenyl) 3-chloropropanoate
CID 87707275
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
CID 79624513
4-(2-ethoxy-6-formylphenoxy)butanenitrile
CID 43366511
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde?
The IUPAC name of 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde (CID 143712949) is 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde.
What is the SMILES notation for 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde?
The canonical SMILES for 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde is CC/C=C\C=C(/C)COc1cccc(C=O)c1OCC.
What is the InChIKey of 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde?
The InChIKey is RIWASLFJVCGKIM-JMMFLXOCSA-N. The full InChI is InChI=1S/C17H22O3/c1-4-6-7-9-14(3)13-20-16-11-8-10-15(12-18)17(16)19-5-2/h6-12H,4-5,13H2,1-3H3/b7-6-,14-9+.
What are the key properties of 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde?
2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde has a molecular weight of 274.36 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde is sourced from PubChem (CID 143712949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).