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'}

Analyze 2-hexyl-3-prop-2-enyl-2,5-dihydrofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888684
9-Oxabicyclo[4.2.1]non-7-ene
CID 140727
(3R,4S)-4-[2-(3-methylbutoxy)ethyl]-3-nonoxycyclopentene
CID 24744921
(6E,10Z,14E,15aS)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 132544620
(2S,5S)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888683
(2R)-3-methyl-2-(3-methylbut-3-enyl)-2,5-dihydrofuran
CID 163015296
2-Butyl-4-methyl-3,6-dihydro-2h-pyran
CID 12503535
3-Pentyl-2,5-dihydrofuran
CID 15647309
(2R)-2-(cyclohexen-1-yl)-2,5-dihydrofuran
CID 10012080

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).