5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole

C15H22O6 — CID 5796

IUPAC5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole
SMILESCCOCCOCCOC(C)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H22O6/c1-3-16-6-7-17-8-9-18-12(2)21-13-4-5-14-15(10-13)20-11-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyWABPPBHOPMUJHV-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.21
Rot. Bonds10

About 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole

5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole (PubChem CID 5796) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole
PubChem CID5796
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole
SMILESCCOCCOCCOC(C)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H22O6/c1-3-16-6-7-17-8-9-18-12(2)21-13-4-5-14-15(10-13)20-11-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyWABPPBHOPMUJHV-UHFFFAOYSA-N
XLogP2.21
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sesamol
CID 68289
1,2,4-Trimethoxybenzene
CID 67284
1,2,4-Triacetoxybenzene
CID 69169
Bendiocarb phenol
CID 62765
Kelampayoside A
CID 10552637
Koaburaside
CID 5318820
3,4,5-Trimethoxyphenyl acetate
CID 276280
Tachioside
CID 11962143
Leonuriside
CID 14237626
Capparoside A
CID 44606077
2-(1,3-Benzodioxol-5-yloxy)propanoic acid
CID 3164939
2-(4-Hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14237625

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole?
The IUPAC name of 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole (CID 5796) is 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole.
What is the SMILES notation for 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole?
The canonical SMILES for 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole is CCOCCOCCOC(C)Oc1ccc2c(c1)OCO2.
What is the InChIKey of 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole?
The InChIKey is WABPPBHOPMUJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-3-16-6-7-17-8-9-18-12(2)21-13-4-5-14-15(10-13)20-11-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole?
5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole has a molecular weight of 298.34 g/mol, XLogP of 2.21, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-1,3-benzodioxole is sourced from PubChem (CID 5796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).