2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan

C18H24O5 — CID 166036527

IUPAC2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan
SMILESC=CCC(OCC1CO1)c1ccc(C(CC=C)OCC2CO2)o1
InChIInChI=1S/C18H24O5/c1-3-5-15(21-11-13-9-19-13)17-7-8-18(23-17)16(6-4-2)22-12-14-10-20-14/h3-4,7-8,13-16H,1-2,5-6,9-12H2
InChIKeyIYOHDMRZVHLBRO-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.34
Rot. Bonds12

About 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan

2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan (PubChem CID 166036527) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan.

Molecular Properties

Compound Name2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan
PubChem CID166036527
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan
SMILESC=CCC(OCC1CO1)c1ccc(C(CC=C)OCC2CO2)o1
InChIInChI=1S/C18H24O5/c1-3-5-15(21-11-13-9-19-13)17-7-8-18(23-17)16(6-4-2)22-12-14-10-20-14/h3-4,7-8,13-16H,1-2,5-6,9-12H2
InChIKeyIYOHDMRZVHLBRO-UHFFFAOYSA-N
XLogP3.34
TPSA56.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan?
The IUPAC name of 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan (CID 166036527) is 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan.
What is the SMILES notation for 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan?
The canonical SMILES for 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan is C=CCC(OCC1CO1)c1ccc(C(CC=C)OCC2CO2)o1.
What is the InChIKey of 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan?
The InChIKey is IYOHDMRZVHLBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-3-5-15(21-11-13-9-19-13)17-7-8-18(23-17)16(6-4-2)22-12-14-10-20-14/h3-4,7-8,13-16H,1-2,5-6,9-12H2.
What are the key properties of 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan?
2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan has a molecular weight of 320.39 g/mol, XLogP of 3.34, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[1-(oxiran-2-ylmethoxy)but-3-enyl]furan is sourced from PubChem (CID 166036527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).