2-ethyl-4-hexyl-2,5-dihydrofuran

C12H22O — CID 101480490

IUPAC2-ethyl-4-hexyl-2,5-dihydrofuran
SMILESCCCCCCC1=CC(CC)OC1
InChIInChI=1S/C12H22O/c1-3-5-6-7-8-11-9-12(4-2)13-10-11/h9,12H,3-8,10H2,1-2H3
InChIKeyXCYXPOWTQWMWRB-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds6

About 2-ethyl-4-hexyl-2,5-dihydrofuran

2-ethyl-4-hexyl-2,5-dihydrofuran (PubChem CID 101480490) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethyl-4-hexyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-ethyl-4-hexyl-2,5-dihydrofuran
PubChem CID101480490
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-ethyl-4-hexyl-2,5-dihydrofuran
SMILESCCCCCCC1=CC(CC)OC1
InChIInChI=1S/C12H22O/c1-3-5-6-7-8-11-9-12(4-2)13-10-11/h9,12H,3-8,10H2,1-2H3
InChIKeyXCYXPOWTQWMWRB-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
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-ethyl-4-hexyl-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

2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
(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
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
(2R)-3-methyl-2-(3-methylbut-3-enyl)-2,5-dihydrofuran
CID 163015296
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
2-Butyl-4-methyl-3,6-dihydro-2h-pyran
CID 12503535
2-(2-Methylprop-1-enyl)tetrahydrofuran
CID 12735917

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hexyl-2,5-dihydrofuran?
The IUPAC name of 2-ethyl-4-hexyl-2,5-dihydrofuran (CID 101480490) is 2-ethyl-4-hexyl-2,5-dihydrofuran.
What is the SMILES notation for 2-ethyl-4-hexyl-2,5-dihydrofuran?
The canonical SMILES for 2-ethyl-4-hexyl-2,5-dihydrofuran is CCCCCCC1=CC(CC)OC1.
What is the InChIKey of 2-ethyl-4-hexyl-2,5-dihydrofuran?
The InChIKey is XCYXPOWTQWMWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-6-7-8-11-9-12(4-2)13-10-11/h9,12H,3-8,10H2,1-2H3.
What are the key properties of 2-ethyl-4-hexyl-2,5-dihydrofuran?
2-ethyl-4-hexyl-2,5-dihydrofuran has a molecular weight of 182.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hexyl-2,5-dihydrofuran is sourced from PubChem (CID 101480490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).