5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole

C19H30O5 — CID 5794

💊View drug profile → piperonyl butoxide
IUPAC5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
SMILESCCCCOCCOCCOCc1cc2c(cc1CCC)OCO2
InChIInChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
InChIKeyFIPWRIJSWJWJAI-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.72
Rot. Bonds13

About 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole

5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole (PubChem CID 5794) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
PubChem CID5794
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
SMILESCCCCOCCOCCOCc1cc2c(cc1CCC)OCO2
InChIInChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
InChIKeyFIPWRIJSWJWJAI-UHFFFAOYSA-N
XLogP3.72
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Safrole
CID 5144
Isosafrole
CID 637796
Myristicin
CID 4276
Piperonyl acetate
CID 9473
Apiole
CID 10659
Sesamin
CID 72307
alpha-Ethenyl-1,3-benzodioxole-5-methanol
CID 21268
Schisandrin C
CID 443027
Piperonyl alcohol
CID 10322
Dihydrosafrole
CID 7197
Asarinin
CID 101612
Dillapiol
CID 10231

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole?
The IUPAC name of 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole (CID 5794) is 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole.
What is the SMILES notation for 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole?
The canonical SMILES for 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole is CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2.
What is the InChIKey of 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole?
The InChIKey is FIPWRIJSWJWJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3.
What are the key properties of 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole?
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole has a molecular weight of 338.44 g/mol, XLogP of 3.72, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole is sourced from PubChem (CID 5794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).