2,5-bis(prop-2-enoxymethyl)oxolane

C12H20O3 — CID 129245047

IUPAC2,5-bis(prop-2-enoxymethyl)oxolane
SMILESC=CCOCC1CCC(COCC=C)O1
InChIInChI=1S/C12H20O3/c1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeySEJCUEXQSKJRPA-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.94
Rot. Bonds8

About 2,5-bis(prop-2-enoxymethyl)oxolane

2,5-bis(prop-2-enoxymethyl)oxolane (PubChem CID 129245047) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,5-bis(prop-2-enoxymethyl)oxolane.

Molecular Properties

Compound Name2,5-bis(prop-2-enoxymethyl)oxolane
PubChem CID129245047
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2,5-bis(prop-2-enoxymethyl)oxolane
SMILESC=CCOCC1CCC(COCC=C)O1
InChIInChI=1S/C12H20O3/c1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeySEJCUEXQSKJRPA-UHFFFAOYSA-N
XLogP1.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(prop-2-enoxymethyl)oxolane?
The IUPAC name of 2,5-bis(prop-2-enoxymethyl)oxolane (CID 129245047) is 2,5-bis(prop-2-enoxymethyl)oxolane.
What is the SMILES notation for 2,5-bis(prop-2-enoxymethyl)oxolane?
The canonical SMILES for 2,5-bis(prop-2-enoxymethyl)oxolane is C=CCOCC1CCC(COCC=C)O1.
What is the InChIKey of 2,5-bis(prop-2-enoxymethyl)oxolane?
The InChIKey is SEJCUEXQSKJRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h3-4,11-12H,1-2,5-10H2.
What are the key properties of 2,5-bis(prop-2-enoxymethyl)oxolane?
2,5-bis(prop-2-enoxymethyl)oxolane has a molecular weight of 212.29 g/mol, XLogP of 1.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(prop-2-enoxymethyl)oxolane is sourced from PubChem (CID 129245047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).