2,5-bis(but-3-enyl)furan

C12H16O — CID 10856026

IUPAC2,5-bis(but-3-enyl)furan
SMILESC=CCCc1ccc(CCC=C)o1
InChIInChI=1S/C12H16O/c1-3-5-7-11-9-10-12(13-11)8-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyHVYPJAHURQYWSP-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.52
Rot. Bonds6

About 2,5-bis(but-3-enyl)furan

2,5-bis(but-3-enyl)furan (PubChem CID 10856026) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,5-bis(but-3-enyl)furan.

Molecular Properties

Compound Name2,5-bis(but-3-enyl)furan
PubChem CID10856026
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,5-bis(but-3-enyl)furan
SMILESC=CCCc1ccc(CCC=C)o1
InChIInChI=1S/C12H16O/c1-3-5-7-11-9-10-12(13-11)8-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyHVYPJAHURQYWSP-UHFFFAOYSA-N
XLogP3.52
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(but-3-enyl)furan?
The IUPAC name of 2,5-bis(but-3-enyl)furan (CID 10856026) is 2,5-bis(but-3-enyl)furan.
What is the SMILES notation for 2,5-bis(but-3-enyl)furan?
The canonical SMILES for 2,5-bis(but-3-enyl)furan is C=CCCc1ccc(CCC=C)o1.
What is the InChIKey of 2,5-bis(but-3-enyl)furan?
The InChIKey is HVYPJAHURQYWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-5-7-11-9-10-12(13-11)8-6-4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 2,5-bis(but-3-enyl)furan?
2,5-bis(but-3-enyl)furan has a molecular weight of 176.26 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(but-3-enyl)furan is sourced from PubChem (CID 10856026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).