2,5-dimethyl-3-pentylfuran

C11H18O — CID 15522203

IUPAC2,5-dimethyl-3-pentylfuran
SMILESCCCCCc1cc(C)oc1C
InChIInChI=1S/C11H18O/c1-4-5-6-7-11-8-9(2)12-10(11)3/h8H,4-7H2,1-3H3
InChIKeyPTCNSKLNDCSVAT-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.63
Rot. Bonds4

About 2,5-dimethyl-3-pentylfuran

2,5-dimethyl-3-pentylfuran (PubChem CID 15522203) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,5-dimethyl-3-pentylfuran.

Molecular Properties

Compound Name2,5-dimethyl-3-pentylfuran
PubChem CID15522203
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,5-dimethyl-3-pentylfuran
SMILESCCCCCc1cc(C)oc1C
InChIInChI=1S/C11H18O/c1-4-5-6-7-11-8-9(2)12-10(11)3/h8H,4-7H2,1-3H3
InChIKeyPTCNSKLNDCSVAT-UHFFFAOYSA-N
XLogP3.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-3-pentylfuran 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

3-[3-[3-(2,5-dimethylfuran-3-yl)propylsulfanyl]propyl]-2,5-dimethylfuran
CID 21429347
methyl 3-heptyl-5-methylfuran-2-carboxylate
CID 14791756
2-hexyl-5-methyl-3-(2-methylprop-2-enyl)furan
CID 15090482
3-(2-isocyanoethyl)-2,5-dimethylfuran
CID 83479425
(2,5-dimethylfuran-3-yl)methanol
CID 10396847
3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 59859508
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
2-methyl-3-pentylfuran
CID 12555082
1-[(2,5-dimethylfuran-3-yl)methyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 111580762
2-methyl-6-octadecyl-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene
CID 18519368
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
2,3,5-triheptylfuran
CID 165157097

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-pentylfuran?
The IUPAC name of 2,5-dimethyl-3-pentylfuran (CID 15522203) is 2,5-dimethyl-3-pentylfuran.
What is the SMILES notation for 2,5-dimethyl-3-pentylfuran?
The canonical SMILES for 2,5-dimethyl-3-pentylfuran is CCCCCc1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-3-pentylfuran?
The InChIKey is PTCNSKLNDCSVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-5-6-7-11-8-9(2)12-10(11)3/h8H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-pentylfuran?
2,5-dimethyl-3-pentylfuran has a molecular weight of 166.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-pentylfuran is sourced from PubChem (CID 15522203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).