(2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one

C9H12O3 — CID 14860950

IUPAC(2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one
SMILESCC(=O)[C@H]1CC(C)=C(C)C(=O)O1
InChIInChI=1S/C9H12O3/c1-5-4-8(7(3)10)12-9(11)6(5)2/h8H,4H2,1-3H3/t8-/m1/s1
InChIKeyOKJMXRABIBDZDN-MRVPVSSYSA-N
MW168.19 g/mol
LogP1.23
Rot. Bonds1

About (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one

(2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one (PubChem CID 14860950) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one
PubChem CID14860950
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one
SMILESCC(=O)[C@H]1CC(C)=C(C)C(=O)O1
InChIInChI=1S/C9H12O3/c1-5-4-8(7(3)10)12-9(11)6(5)2/h8H,4H2,1-3H3/t8-/m1/s1
InChIKeyOKJMXRABIBDZDN-MRVPVSSYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one 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

ethyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 11953641
ethyl (2R)-4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 10877795
4-ethyl-3-propyl-2H-pyran-5-one
CID 11745027
Ethyl 4-methoxy-2,5-dimethyl-3,6-dioxocyclohexa-1,4-diene-1-carboxylate
CID 13351159
(2s)-4-Methyl-6-oxo-3,6-dihydro-2h-pyran-2-carbaldehyde
CID 134823980
methyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 32502
(2-Acetyl-5-methyl-6-oxo-3,6-dihydro-2H-pyran-4-yl)methyl acetate
CID 23271551
propan-2-yl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 73116560
butyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 85157481
(3,4-Dimethyl-2-oxocyclopent-3-en-1-yl) acetate
CID 85837162
2,4,5-Trimethyl-2,3-dihydropyran-6-one
CID 18538217
propyl (Z)-3-acetyl-2-ethylhex-2-enoate
CID 59058843

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one (CID 14860950) is (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one is CC(=O)[C@H]1CC(C)=C(C)C(=O)O1.
What is the InChIKey of (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one?
The InChIKey is OKJMXRABIBDZDN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12O3/c1-5-4-8(7(3)10)12-9(11)6(5)2/h8H,4H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one?
(2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one has a molecular weight of 168.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyl-4,5-dimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 14860950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).