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

C12H22O4 — CID 18471408

IUPAC2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol
SMILESC=CC(C=C)(COCCOCCO)OCC
InChIInChI=1S/C12H22O4/c1-4-12(5-2,16-6-3)11-15-10-9-14-8-7-13/h4-5,13H,1-2,6-11H2,3H3
InChIKeyUEUSMRWMKLBRJA-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.16
Rot. Bonds11

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

2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol (PubChem CID 18471408) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol
PubChem CID18471408
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol
SMILESC=CC(C=C)(COCCOCCO)OCC
InChIInChI=1S/C12H22O4/c1-4-12(5-2,16-6-3)11-15-10-9-14-8-7-13/h4-5,13H,1-2,6-11H2,3H3
InChIKeyUEUSMRWMKLBRJA-UHFFFAOYSA-N
XLogP1.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.16
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-ethoxybut-3-enoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol (CID 18471408) is 2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol is C=CC(C=C)(COCCOCCO)OCC.
What is the InChIKey of 2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol?
The InChIKey is UEUSMRWMKLBRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-4-12(5-2,16-6-3)11-15-10-9-14-8-7-13/h4-5,13H,1-2,6-11H2,3H3.
What are the key properties of 2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol?
2-[2-(2-ethenyl-2-ethoxybut-3-enoxy)ethoxy]ethanol has a molecular weight of 230.30 g/mol, XLogP of 1.16, 11 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-ethoxybut-3-enoxy)ethoxy]ethanol is sourced from PubChem (CID 18471408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).