2-hexyl-3-prop-2-enyl-2,5-dihydrofuran

C13H22O — CID 11030687

IUPAC2-hexyl-3-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=CCOC1CCCCCC
InChIInChI=1S/C13H22O/c1-3-5-6-7-9-13-12(8-4-2)10-11-14-13/h4,10,13H,2-3,5-9,11H2,1H3
InChIKeyHIBQGINYXXBWQG-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.86
Rot. Bonds7

About 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran

2-hexyl-3-prop-2-enyl-2,5-dihydrofuran (PubChem CID 11030687) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-hexyl-3-prop-2-enyl-2,5-dihydrofuran
PubChem CID11030687
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-hexyl-3-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=CCOC1CCCCCC
InChIInChI=1S/C13H22O/c1-3-5-6-7-9-13-12(8-4-2)10-11-14-13/h4,10,13H,2-3,5-9,11H2,1H3
InChIKeyHIBQGINYXXBWQG-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.86
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 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran?
The IUPAC name of 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran (CID 11030687) is 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran.
What is the SMILES notation for 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran?
The canonical SMILES for 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran is C=CCC1=CCOC1CCCCCC.
What is the InChIKey of 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran?
The InChIKey is HIBQGINYXXBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-5-6-7-9-13-12(8-4-2)10-11-14-13/h4,10,13H,2-3,5-9,11H2,1H3.
What are the key properties of 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran?
2-hexyl-3-prop-2-enyl-2,5-dihydrofuran has a molecular weight of 194.32 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran is sourced from PubChem (CID 11030687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).