1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol

C8H12O2 — CID 102654863

IUPAC1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol
SMILESC=CCC(O)C1=CCCO1
InChIInChI=1S/C8H12O2/c1-2-4-7(9)8-5-3-6-10-8/h2,5,7,9H,1,3-4,6H2
InChIKeyUJMRAGMPUYUXPU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.23
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol

1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol (PubChem CID 102654863) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol
PubChem CID102654863
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol
SMILESC=CCC(O)C1=CCCO1
InChIInChI=1S/C8H12O2/c1-2-4-7(9)8-5-3-6-10-8/h2,5,7,9H,1,3-4,6H2
InChIKeyUJMRAGMPUYUXPU-UHFFFAOYSA-N
XLogP1.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol (CID 102654863) is 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol is C=CCC(O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol?
The InChIKey is UJMRAGMPUYUXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-4-7(9)8-5-3-6-10-8/h2,5,7,9H,1,3-4,6H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol?
1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol has a molecular weight of 140.18 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol is sourced from PubChem (CID 102654863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).