2-but-3-enyl-2,5-dihydrofuran

C8H12O — CID 101012756

IUPAC2-but-3-enyl-2,5-dihydrofuran
SMILESC=CCCC1C=CCO1
InChIInChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h2,4,6,8H,1,3,5,7H2
InChIKeyFYBVIWJSGHLNQU-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds3

About 2-but-3-enyl-2,5-dihydrofuran

2-but-3-enyl-2,5-dihydrofuran (PubChem CID 101012756) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-but-3-enyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-but-3-enyl-2,5-dihydrofuran
PubChem CID101012756
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-but-3-enyl-2,5-dihydrofuran
SMILESC=CCCC1C=CCO1
InChIInChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h2,4,6,8H,1,3,5,7H2
InChIKeyFYBVIWJSGHLNQU-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
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-but-3-enyl-2,5-dihydrofuran?
The IUPAC name of 2-but-3-enyl-2,5-dihydrofuran (CID 101012756) is 2-but-3-enyl-2,5-dihydrofuran.
What is the SMILES notation for 2-but-3-enyl-2,5-dihydrofuran?
The canonical SMILES for 2-but-3-enyl-2,5-dihydrofuran is C=CCCC1C=CCO1.
What is the InChIKey of 2-but-3-enyl-2,5-dihydrofuran?
The InChIKey is FYBVIWJSGHLNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h2,4,6,8H,1,3,5,7H2.
What are the key properties of 2-but-3-enyl-2,5-dihydrofuran?
2-but-3-enyl-2,5-dihydrofuran has a molecular weight of 124.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2,5-dihydrofuran is sourced from PubChem (CID 101012756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).