2-(3-ethyl-3-methylpentyl)-5-methylfuran

C13H22O — CID 54437486

IUPAC2-(3-ethyl-3-methylpentyl)-5-methylfuran
SMILESCCC(C)(CC)CCc1ccc(C)o1
InChIInChI=1S/C13H22O/c1-5-13(4,6-2)10-9-12-8-7-11(3)14-12/h7-8H,5-6,9-10H2,1-4H3
InChIKeyWLTFZSOMVZYNOV-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.35
Rot. Bonds5

About 2-(3-ethyl-3-methylpentyl)-5-methylfuran

2-(3-ethyl-3-methylpentyl)-5-methylfuran (PubChem CID 54437486) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(3-ethyl-3-methylpentyl)-5-methylfuran.

Molecular Properties

Compound Name2-(3-ethyl-3-methylpentyl)-5-methylfuran
PubChem CID54437486
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(3-ethyl-3-methylpentyl)-5-methylfuran
SMILESCCC(C)(CC)CCc1ccc(C)o1
InChIInChI=1S/C13H22O/c1-5-13(4,6-2)10-9-12-8-7-11(3)14-12/h7-8H,5-6,9-10H2,1-4H3
InChIKeyWLTFZSOMVZYNOV-UHFFFAOYSA-N
XLogP4.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-ethyl-3-methylpentyl)-5-methylfuran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methylpentyl)-5-methylfuran?
The IUPAC name of 2-(3-ethyl-3-methylpentyl)-5-methylfuran (CID 54437486) is 2-(3-ethyl-3-methylpentyl)-5-methylfuran.
What is the SMILES notation for 2-(3-ethyl-3-methylpentyl)-5-methylfuran?
The canonical SMILES for 2-(3-ethyl-3-methylpentyl)-5-methylfuran is CCC(C)(CC)CCc1ccc(C)o1.
What is the InChIKey of 2-(3-ethyl-3-methylpentyl)-5-methylfuran?
The InChIKey is WLTFZSOMVZYNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-5-13(4,6-2)10-9-12-8-7-11(3)14-12/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(3-ethyl-3-methylpentyl)-5-methylfuran?
2-(3-ethyl-3-methylpentyl)-5-methylfuran has a molecular weight of 194.32 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-methylpentyl)-5-methylfuran is sourced from PubChem (CID 54437486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).