2-(2-ethenylbut-2-enoxy)oxane

C11H18O2 — CID 54469177

IUPAC2-(2-ethenylbut-2-enoxy)oxane
SMILESC=CC(=CC)COC1CCCCO1
InChIInChI=1S/C11H18O2/c1-3-10(4-2)9-13-11-7-5-6-8-12-11/h3-4,11H,1,5-9H2,2H3
InChIKeyXHBVAXSFTQIEEN-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds4

About 2-(2-ethenylbut-2-enoxy)oxane

2-(2-ethenylbut-2-enoxy)oxane (PubChem CID 54469177) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(2-ethenylbut-2-enoxy)oxane.

Molecular Properties

Compound Name2-(2-ethenylbut-2-enoxy)oxane
PubChem CID54469177
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(2-ethenylbut-2-enoxy)oxane
SMILESC=CC(=CC)COC1CCCCO1
InChIInChI=1S/C11H18O2/c1-3-10(4-2)9-13-11-7-5-6-8-12-11/h3-4,11H,1,5-9H2,2H3
InChIKeyXHBVAXSFTQIEEN-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylbut-2-enoxy)oxane?
The IUPAC name of 2-(2-ethenylbut-2-enoxy)oxane (CID 54469177) is 2-(2-ethenylbut-2-enoxy)oxane.
What is the SMILES notation for 2-(2-ethenylbut-2-enoxy)oxane?
The canonical SMILES for 2-(2-ethenylbut-2-enoxy)oxane is C=CC(=CC)COC1CCCCO1.
What is the InChIKey of 2-(2-ethenylbut-2-enoxy)oxane?
The InChIKey is XHBVAXSFTQIEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-10(4-2)9-13-11-7-5-6-8-12-11/h3-4,11H,1,5-9H2,2H3.
What are the key properties of 2-(2-ethenylbut-2-enoxy)oxane?
2-(2-ethenylbut-2-enoxy)oxane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylbut-2-enoxy)oxane is sourced from PubChem (CID 54469177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).