6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde

C12H14O6 — CID 55011970

IUPAC6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
SMILESO=Cc1cc2c(cc1OCCOCCO)OCO2
InChIInChI=1S/C12H14O6/c13-1-2-15-3-4-16-10-6-12-11(17-8-18-12)5-9(10)7-14/h5-7,13H,1-4,8H2
InChIKeyJGCHYKRAIHQYMA-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.62
Rot. Bonds7

About 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde

6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde (PubChem CID 55011970) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde.

Molecular Properties

Compound Name6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
PubChem CID55011970
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
SMILESO=Cc1cc2c(cc1OCCOCCO)OCO2
InChIInChI=1S/C12H14O6/c13-1-2-15-3-4-16-10-6-12-11(17-8-18-12)5-9(10)7-14/h5-7,13H,1-4,8H2
InChIKeyJGCHYKRAIHQYMA-UHFFFAOYSA-N
XLogP0.62
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde?
The IUPAC name of 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde (CID 55011970) is 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde.
What is the SMILES notation for 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde?
The canonical SMILES for 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde is O=Cc1cc2c(cc1OCCOCCO)OCO2.
What is the InChIKey of 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde?
The InChIKey is JGCHYKRAIHQYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c13-1-2-15-3-4-16-10-6-12-11(17-8-18-12)5-9(10)7-14/h5-7,13H,1-4,8H2.
What are the key properties of 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde?
6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde has a molecular weight of 254.24 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde is sourced from PubChem (CID 55011970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).