2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane

C12H18O3 — CID 23118642

IUPAC2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane
SMILESC=CCC1(OC2(CC=C)CCO2)CCO1
InChIInChI=1S/C12H18O3/c1-3-5-11(7-9-13-11)15-12(6-4-2)8-10-14-12/h3-4H,1-2,5-10H2
InChIKeyDILICPGPDWXGHM-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.39
Rot. Bonds6

About 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane

2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane (PubChem CID 23118642) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane.

Molecular Properties

Compound Name2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane
PubChem CID23118642
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane
SMILESC=CCC1(OC2(CC=C)CCO2)CCO1
InChIInChI=1S/C12H18O3/c1-3-5-11(7-9-13-11)15-12(6-4-2)8-10-14-12/h3-4H,1-2,5-10H2
InChIKeyDILICPGPDWXGHM-UHFFFAOYSA-N
XLogP2.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane?
The IUPAC name of 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane (CID 23118642) is 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane.
What is the SMILES notation for 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane?
The canonical SMILES for 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane is C=CCC1(OC2(CC=C)CCO2)CCO1.
What is the InChIKey of 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane?
The InChIKey is DILICPGPDWXGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-5-11(7-9-13-11)15-12(6-4-2)8-10-14-12/h3-4H,1-2,5-10H2.
What are the key properties of 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane?
2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane has a molecular weight of 210.27 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane is sourced from PubChem (CID 23118642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).