3-pentyl-2,5-dihydrofuran

C9H16O — CID 15647309

IUPAC3-pentyl-2,5-dihydrofuran
SMILESCCCCCC1=CCOC1
InChIInChI=1S/C9H16O/c1-2-3-4-5-9-6-7-10-8-9/h6H,2-5,7-8H2,1H3
InChIKeyNUXLRODCNZZESU-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds4

About 3-pentyl-2,5-dihydrofuran

3-pentyl-2,5-dihydrofuran (PubChem CID 15647309) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-pentyl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-pentyl-2,5-dihydrofuran
PubChem CID15647309
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-pentyl-2,5-dihydrofuran
SMILESCCCCCC1=CCOC1
InChIInChI=1S/C9H16O/c1-2-3-4-5-9-6-7-10-8-9/h6H,2-5,7-8H2,1H3
InChIKeyNUXLRODCNZZESU-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-2,5-dihydrofuran?
The IUPAC name of 3-pentyl-2,5-dihydrofuran (CID 15647309) is 3-pentyl-2,5-dihydrofuran.
What is the SMILES notation for 3-pentyl-2,5-dihydrofuran?
The canonical SMILES for 3-pentyl-2,5-dihydrofuran is CCCCCC1=CCOC1.
What is the InChIKey of 3-pentyl-2,5-dihydrofuran?
The InChIKey is NUXLRODCNZZESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-5-9-6-7-10-8-9/h6H,2-5,7-8H2,1H3.
What are the key properties of 3-pentyl-2,5-dihydrofuran?
3-pentyl-2,5-dihydrofuran has a molecular weight of 140.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2,5-dihydrofuran is sourced from PubChem (CID 15647309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).