2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol

C11H20O4 — CID 87222110

IUPAC2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol
SMILESC=CC(C=C)(COCCOCCO)OC
InChIInChI=1S/C11H20O4/c1-4-11(5-2,13-3)10-15-9-8-14-7-6-12/h4-5,12H,1-2,6-10H2,3H3
InChIKeyXVWUGBNLLCLUQW-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.77
Rot. Bonds10

About 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol

2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol (PubChem CID 87222110) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol
PubChem CID87222110
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol
SMILESC=CC(C=C)(COCCOCCO)OC
InChIInChI=1S/C11H20O4/c1-4-11(5-2,13-3)10-15-9-8-14-7-6-12/h4-5,12H,1-2,6-10H2,3H3
InChIKeyXVWUGBNLLCLUQW-UHFFFAOYSA-N
XLogP0.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol (CID 87222110) is 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol is C=CC(C=C)(COCCOCCO)OC.
What is the InChIKey of 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol?
The InChIKey is XVWUGBNLLCLUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-11(5-2,13-3)10-15-9-8-14-7-6-12/h4-5,12H,1-2,6-10H2,3H3.
What are the key properties of 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol?
2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol has a molecular weight of 216.28 g/mol, XLogP of 0.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethenyl-2-methoxybut-3-enoxy)ethoxy]ethanol is sourced from PubChem (CID 87222110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).