3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde

C13H16O3 — CID 43174565

IUPAC3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
SMILESC=C(C)COc1c(C=O)cccc1OCC
InChIInChI=1S/C13H16O3/c1-4-15-12-7-5-6-11(8-14)13(12)16-9-10(2)3/h5-8H,2,4,9H2,1,3H3
InChIKeyGVQUQNYCQFPPSQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.85
Rot. Bonds6

About 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde

3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde (PubChem CID 43174565) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
PubChem CID43174565
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
SMILESC=C(C)COc1c(C=O)cccc1OCC
InChIInChI=1S/C13H16O3/c1-4-15-12-7-5-6-11(8-14)13(12)16-9-10(2)3/h5-8H,2,4,9H2,1,3H3
InChIKeyGVQUQNYCQFPPSQ-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765
2-chloro-3-(2-methylprop-2-enoxy)benzaldehyde
CID 117300814
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzaldehyde
CID 54849707
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508
2-ethoxy-3-[(2E,4Z)-2-methylhepta-2,4-dienoxy]benzaldehyde
CID 143712949
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
CID 79624513
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde?
The IUPAC name of 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde (CID 43174565) is 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde?
The canonical SMILES for 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde is C=C(C)COc1c(C=O)cccc1OCC.
What is the InChIKey of 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde?
The InChIKey is GVQUQNYCQFPPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-15-12-7-5-6-11(8-14)13(12)16-9-10(2)3/h5-8H,2,4,9H2,1,3H3.
What are the key properties of 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde?
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde has a molecular weight of 220.27 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde is sourced from PubChem (CID 43174565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).