3-hexyl-2,5-dihydrofuran

C10H18O — CID 15647310

IUPAC3-hexyl-2,5-dihydrofuran
SMILESCCCCCCC1=CCOC1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-10-7-8-11-9-10/h7H,2-6,8-9H2,1H3
InChIKeyRLXVPDOSMXYDAS-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds5

About 3-hexyl-2,5-dihydrofuran

3-hexyl-2,5-dihydrofuran (PubChem CID 15647310) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-hexyl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-hexyl-2,5-dihydrofuran
PubChem CID15647310
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-hexyl-2,5-dihydrofuran
SMILESCCCCCCC1=CCOC1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-10-7-8-11-9-10/h7H,2-6,8-9H2,1H3
InChIKeyRLXVPDOSMXYDAS-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
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-hexyl-2,5-dihydrofuran?
The IUPAC name of 3-hexyl-2,5-dihydrofuran (CID 15647310) is 3-hexyl-2,5-dihydrofuran.
What is the SMILES notation for 3-hexyl-2,5-dihydrofuran?
The canonical SMILES for 3-hexyl-2,5-dihydrofuran is CCCCCCC1=CCOC1.
What is the InChIKey of 3-hexyl-2,5-dihydrofuran?
The InChIKey is RLXVPDOSMXYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-5-6-10-7-8-11-9-10/h7H,2-6,8-9H2,1H3.
What are the key properties of 3-hexyl-2,5-dihydrofuran?
3-hexyl-2,5-dihydrofuran has a molecular weight of 154.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2,5-dihydrofuran is sourced from PubChem (CID 15647310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).