(2R)-2-hexyl-5-methylfuran-3-one

C11H18O2 — CID 162906851

IUPAC(2R)-2-hexyl-5-methylfuran-3-one
SMILESCCCCCC[C@H]1OC(C)=CC1=O
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyAAUWBAWSKVOBFL-LLVKDONJSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds5

About (2R)-2-hexyl-5-methylfuran-3-one

(2R)-2-hexyl-5-methylfuran-3-one (PubChem CID 162906851) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R)-2-hexyl-5-methylfuran-3-one.

Molecular Properties

Compound Name(2R)-2-hexyl-5-methylfuran-3-one
PubChem CID162906851
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R)-2-hexyl-5-methylfuran-3-one
SMILESCCCCCC[C@H]1OC(C)=CC1=O
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyAAUWBAWSKVOBFL-LLVKDONJSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-hexyl-5-methylfuran-3-one 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 (2R)-2-hexyl-5-methylfuran-3-one?
The IUPAC name of (2R)-2-hexyl-5-methylfuran-3-one (CID 162906851) is (2R)-2-hexyl-5-methylfuran-3-one.
What is the SMILES notation for (2R)-2-hexyl-5-methylfuran-3-one?
The canonical SMILES for (2R)-2-hexyl-5-methylfuran-3-one is CCCCCC[C@H]1OC(C)=CC1=O.
What is the InChIKey of (2R)-2-hexyl-5-methylfuran-3-one?
The InChIKey is AAUWBAWSKVOBFL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-hexyl-5-methylfuran-3-one?
(2R)-2-hexyl-5-methylfuran-3-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hexyl-5-methylfuran-3-one is sourced from PubChem (CID 162906851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).