2,5-bis(oxiran-2-ylmethoxymethyl)furan

C12H16O5 — CID 88869582

IUPAC2,5-bis(oxiran-2-ylmethoxymethyl)furan
SMILESc1cc(COCC2CO2)oc1COCC1CO1
InChIInChI=1S/C12H16O5/c1-2-10(4-14-6-12-8-16-12)17-9(1)3-13-5-11-7-15-11/h1-2,11-12H,3-8H2
InChIKeyTUJVCLIFHDKFFM-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.11
Rot. Bonds8

About 2,5-bis(oxiran-2-ylmethoxymethyl)furan

2,5-bis(oxiran-2-ylmethoxymethyl)furan (PubChem CID 88869582) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2,5-bis(oxiran-2-ylmethoxymethyl)furan.

Molecular Properties

Compound Name2,5-bis(oxiran-2-ylmethoxymethyl)furan
PubChem CID88869582
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2,5-bis(oxiran-2-ylmethoxymethyl)furan
SMILESc1cc(COCC2CO2)oc1COCC1CO1
InChIInChI=1S/C12H16O5/c1-2-10(4-14-6-12-8-16-12)17-9(1)3-13-5-11-7-15-11/h1-2,11-12H,3-8H2
InChIKeyTUJVCLIFHDKFFM-UHFFFAOYSA-N
XLogP1.11
TPSA56.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(oxiran-2-ylmethoxymethyl)furan?
The IUPAC name of 2,5-bis(oxiran-2-ylmethoxymethyl)furan (CID 88869582) is 2,5-bis(oxiran-2-ylmethoxymethyl)furan.
What is the SMILES notation for 2,5-bis(oxiran-2-ylmethoxymethyl)furan?
The canonical SMILES for 2,5-bis(oxiran-2-ylmethoxymethyl)furan is c1cc(COCC2CO2)oc1COCC1CO1.
What is the InChIKey of 2,5-bis(oxiran-2-ylmethoxymethyl)furan?
The InChIKey is TUJVCLIFHDKFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-2-10(4-14-6-12-8-16-12)17-9(1)3-13-5-11-7-15-11/h1-2,11-12H,3-8H2.
What are the key properties of 2,5-bis(oxiran-2-ylmethoxymethyl)furan?
2,5-bis(oxiran-2-ylmethoxymethyl)furan has a molecular weight of 240.25 g/mol, XLogP of 1.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(oxiran-2-ylmethoxymethyl)furan is sourced from PubChem (CID 88869582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).