3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene

C14H22O4 — CID 10171481

IUPAC3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene
SMILESC=CCOCC(OCC=C)(OCC=C)OCC=C
InChIInChI=1S/C14H22O4/c1-5-9-15-13-14(16-10-6-2,17-11-7-3)18-12-8-4/h5-8H,1-4,9-13H2
InChIKeyPLMJVWIXXMSEEK-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.45
Rot. Bonds13

About 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene

3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene (PubChem CID 10171481) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene
PubChem CID10171481
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene
SMILESC=CCOCC(OCC=C)(OCC=C)OCC=C
InChIInChI=1S/C14H22O4/c1-5-9-15-13-14(16-10-6-2,17-11-7-3)18-12-8-4/h5-8H,1-4,9-13H2
InChIKeyPLMJVWIXXMSEEK-UHFFFAOYSA-N
XLogP2.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene (CID 10171481) is 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene is C=CCOCC(OCC=C)(OCC=C)OCC=C.
What is the InChIKey of 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene?
The InChIKey is PLMJVWIXXMSEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-5-9-15-13-14(16-10-6-2,17-11-7-3)18-12-8-4/h5-8H,1-4,9-13H2.
What are the key properties of 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene?
3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene has a molecular weight of 254.33 g/mol, XLogP of 2.45, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 10171481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).