3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde

C14H18O3 — CID 66044765

IUPAC3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
SMILESC=C(CC)COc1c(C=O)cccc1OCC
InChIInChI=1S/C14H18O3/c1-4-11(3)10-17-14-12(9-15)7-6-8-13(14)16-5-2/h6-9H,3-5,10H2,1-2H3
InChIKeyHAQFCBZHQYLNLL-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.24
Rot. Bonds7

About 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde

3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde (PubChem CID 66044765) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
PubChem CID66044765
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
SMILESC=C(CC)COc1c(C=O)cccc1OCC
InChIInChI=1S/C14H18O3/c1-4-11(3)10-17-14-12(9-15)7-6-8-13(14)16-5-2/h6-9H,3-5,10H2,1-2H3
InChIKeyHAQFCBZHQYLNLL-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.24
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

3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
CID 79624513
3-ethoxy-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79227554
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201
N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 66046626
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 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde?
The IUPAC name of 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde (CID 66044765) is 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde?
The canonical SMILES for 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde is C=C(CC)COc1c(C=O)cccc1OCC.
What is the InChIKey of 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde?
The InChIKey is HAQFCBZHQYLNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-11(3)10-17-14-12(9-15)7-6-8-13(14)16-5-2/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde?
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde has a molecular weight of 234.29 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde is sourced from PubChem (CID 66044765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).