2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran

C15H26O — CID 15892523

IUPAC2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(CCCC)C(CCCC)OC1
InChIInChI=1S/C15H26O/c1-4-7-10-14-13(9-6-3)12-16-15(14)11-8-5-2/h6,15H,3-5,7-12H2,1-2H3
InChIKeyXIHQYBLIVVZKDR-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds8

About 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran

2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran (PubChem CID 15892523) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran
PubChem CID15892523
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(CCCC)C(CCCC)OC1
InChIInChI=1S/C15H26O/c1-4-7-10-14-13(9-6-3)12-16-15(14)11-8-5-2/h6,15H,3-5,7-12H2,1-2H3
InChIKeyXIHQYBLIVVZKDR-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
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 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran?
The IUPAC name of 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran (CID 15892523) is 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran.
What is the SMILES notation for 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran?
The canonical SMILES for 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran is C=CCC1=C(CCCC)C(CCCC)OC1.
What is the InChIKey of 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran?
The InChIKey is XIHQYBLIVVZKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-4-7-10-14-13(9-6-3)12-16-15(14)11-8-5-2/h6,15H,3-5,7-12H2,1-2H3.
What are the key properties of 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran?
2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran has a molecular weight of 222.37 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4-prop-2-enyl-2,5-dihydrofuran is sourced from PubChem (CID 15892523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).