2,3,4-tri(propan-2-yl)-2H-furan-5-one

C13H22O2 — CID 130420734

IUPAC2,3,4-tri(propan-2-yl)-2H-furan-5-one
SMILESCC(C)C1=C(C(C)C)C(C(C)C)OC1=O
InChIInChI=1S/C13H22O2/c1-7(2)10-11(8(3)4)13(14)15-12(10)9(5)6/h7-9,12H,1-6H3
InChIKeyLAFXRRWNWSCGGV-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.18
Rot. Bonds3

About 2,3,4-tri(propan-2-yl)-2H-furan-5-one

2,3,4-tri(propan-2-yl)-2H-furan-5-one (PubChem CID 130420734) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,3,4-tri(propan-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name2,3,4-tri(propan-2-yl)-2H-furan-5-one
PubChem CID130420734
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2,3,4-tri(propan-2-yl)-2H-furan-5-one
SMILESCC(C)C1=C(C(C)C)C(C(C)C)OC1=O
InChIInChI=1S/C13H22O2/c1-7(2)10-11(8(3)4)13(14)15-12(10)9(5)6/h7-9,12H,1-6H3
InChIKeyLAFXRRWNWSCGGV-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4-tri(propan-2-yl)-2H-furan-5-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 2,3,4-tri(propan-2-yl)-2H-furan-5-one?
The IUPAC name of 2,3,4-tri(propan-2-yl)-2H-furan-5-one (CID 130420734) is 2,3,4-tri(propan-2-yl)-2H-furan-5-one.
What is the SMILES notation for 2,3,4-tri(propan-2-yl)-2H-furan-5-one?
The canonical SMILES for 2,3,4-tri(propan-2-yl)-2H-furan-5-one is CC(C)C1=C(C(C)C)C(C(C)C)OC1=O.
What is the InChIKey of 2,3,4-tri(propan-2-yl)-2H-furan-5-one?
The InChIKey is LAFXRRWNWSCGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-7(2)10-11(8(3)4)13(14)15-12(10)9(5)6/h7-9,12H,1-6H3.
What are the key properties of 2,3,4-tri(propan-2-yl)-2H-furan-5-one?
2,3,4-tri(propan-2-yl)-2H-furan-5-one has a molecular weight of 210.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tri(propan-2-yl)-2H-furan-5-one is sourced from PubChem (CID 130420734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).