(2R)-2,3,4-trimethyl-2H-furan-5-one

C7H10O2 — CID 5324906

IUPAC(2R)-2,3,4-trimethyl-2H-furan-5-one
SMILESCC1=C(C)[C@@H](C)OC1=O
InChIInChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h6H,1-3H3/t6-/m1/s1
InChIKeyOSFZDFIHIYXIEL-ZCFIWIBFSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds

About (2R)-2,3,4-trimethyl-2H-furan-5-one

(2R)-2,3,4-trimethyl-2H-furan-5-one (PubChem CID 5324906) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2R)-2,3,4-trimethyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2,3,4-trimethyl-2H-furan-5-one
PubChem CID5324906
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2R)-2,3,4-trimethyl-2H-furan-5-one
SMILESCC1=C(C)[C@@H](C)OC1=O
InChIInChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h6H,1-3H3/t6-/m1/s1
InChIKeyOSFZDFIHIYXIEL-ZCFIWIBFSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2,3,4-trimethyl-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 (2R)-2,3,4-trimethyl-2H-furan-5-one?
The IUPAC name of (2R)-2,3,4-trimethyl-2H-furan-5-one (CID 5324906) is (2R)-2,3,4-trimethyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2,3,4-trimethyl-2H-furan-5-one?
The canonical SMILES for (2R)-2,3,4-trimethyl-2H-furan-5-one is CC1=C(C)[C@@H](C)OC1=O.
What is the InChIKey of (2R)-2,3,4-trimethyl-2H-furan-5-one?
The InChIKey is OSFZDFIHIYXIEL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h6H,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-2,3,4-trimethyl-2H-furan-5-one?
(2R)-2,3,4-trimethyl-2H-furan-5-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,4-trimethyl-2H-furan-5-one is sourced from PubChem (CID 5324906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).