3,4,5-tris(prop-2-enoxy)oxane

C14H22O4 — CID 123342869

IUPAC3,4,5-tris(prop-2-enoxy)oxane
SMILESC=CCOC1COCC(OCC=C)C1OCC=C
InChIInChI=1S/C14H22O4/c1-4-7-16-12-10-15-11-13(17-8-5-2)14(12)18-9-6-3/h4-6,12-14H,1-3,7-11H2
InChIKeyBUAFXRWMTLMNNE-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.73
Rot. Bonds9

About 3,4,5-tris(prop-2-enoxy)oxane

3,4,5-tris(prop-2-enoxy)oxane (PubChem CID 123342869) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,4,5-tris(prop-2-enoxy)oxane.

Molecular Properties

Compound Name3,4,5-tris(prop-2-enoxy)oxane
PubChem CID123342869
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3,4,5-tris(prop-2-enoxy)oxane
SMILESC=CCOC1COCC(OCC=C)C1OCC=C
InChIInChI=1S/C14H22O4/c1-4-7-16-12-10-15-11-13(17-8-5-2)14(12)18-9-6-3/h4-6,12-14H,1-3,7-11H2
InChIKeyBUAFXRWMTLMNNE-UHFFFAOYSA-N
XLogP1.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(prop-2-enoxy)oxane?
The IUPAC name of 3,4,5-tris(prop-2-enoxy)oxane (CID 123342869) is 3,4,5-tris(prop-2-enoxy)oxane.
What is the SMILES notation for 3,4,5-tris(prop-2-enoxy)oxane?
The canonical SMILES for 3,4,5-tris(prop-2-enoxy)oxane is C=CCOC1COCC(OCC=C)C1OCC=C.
What is the InChIKey of 3,4,5-tris(prop-2-enoxy)oxane?
The InChIKey is BUAFXRWMTLMNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-7-16-12-10-15-11-13(17-8-5-2)14(12)18-9-6-3/h4-6,12-14H,1-3,7-11H2.
What are the key properties of 3,4,5-tris(prop-2-enoxy)oxane?
3,4,5-tris(prop-2-enoxy)oxane has a molecular weight of 254.33 g/mol, XLogP of 1.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(prop-2-enoxy)oxane is sourced from PubChem (CID 123342869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).