2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane

C12H20O3 — CID 20682585

IUPAC2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane
SMILESC=CC1OC(C=C)C(COC)C1COC
InChIInChI=1S/C12H20O3/c1-5-11-9(7-13-3)10(8-14-4)12(6-2)15-11/h5-6,9-12H,1-2,7-8H2,3-4H3
InChIKeyZTLLDUIXRIBVOW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.65
Rot. Bonds6

About 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane

2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane (PubChem CID 20682585) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane.

Molecular Properties

Compound Name2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane
PubChem CID20682585
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane
SMILESC=CC1OC(C=C)C(COC)C1COC
InChIInChI=1S/C12H20O3/c1-5-11-9(7-13-3)10(8-14-4)12(6-2)15-11/h5-6,9-12H,1-2,7-8H2,3-4H3
InChIKeyZTLLDUIXRIBVOW-UHFFFAOYSA-N
XLogP1.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.65
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 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane?
The IUPAC name of 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane (CID 20682585) is 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane.
What is the SMILES notation for 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane?
The canonical SMILES for 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane is C=CC1OC(C=C)C(COC)C1COC.
What is the InChIKey of 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane?
The InChIKey is ZTLLDUIXRIBVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-5-11-9(7-13-3)10(8-14-4)12(6-2)15-11/h5-6,9-12H,1-2,7-8H2,3-4H3.
What are the key properties of 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane?
2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane has a molecular weight of 212.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-3,4-bis(methoxymethyl)oxolane is sourced from PubChem (CID 20682585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).