4,5-dimethyl-2,3-dihydropyran-6-one

C7H10O2 — CID 10920516

IUPAC4,5-dimethyl-2,3-dihydropyran-6-one
SMILESCC1=C(C)C(=O)OCC1
InChIInChI=1S/C7H10O2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3
InChIKeyZJBVHUCUCCHKFH-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds

About 4,5-dimethyl-2,3-dihydropyran-6-one

4,5-dimethyl-2,3-dihydropyran-6-one (PubChem CID 10920516) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydropyran-6-one
PubChem CID10920516
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4,5-dimethyl-2,3-dihydropyran-6-one
SMILESCC1=C(C)C(=O)OCC1
InChIInChI=1S/C7H10O2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3
InChIKeyZJBVHUCUCCHKFH-UHFFFAOYSA-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 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

2,3-Anhydromevalonic acid
CID 557445
3-Ethyl-4-methyl-2,5-dihydrofuran-2,5-dione
CID 77091
3,4,5-trimethylfuran-2(5H)-one
CID 9898826
3-Methyl-5,6-dihydro-2H-pyran-2-one
CID 12553931
Methyl 3,6-dihydro-2H-pyran-4-carboxylate
CID 37819200
4-methyl-5,6-dihydro-2H-pyran-3-carboxylic acid
CID 166000570
4-methyl-3,6-dihydro-2H-pyran-2-one
CID 642765
2H-pyran-2-one, 3,6-dihydro-5-methyl-
CID 642766
(2R)-2,3,4-trimethyl-2H-furan-5-one
CID 5324906
3-ethyl-4-methyl-5H-furan-2-one
CID 24975321
3,5,5-Trimethyl-5,6-dihydro-2H-pyran-2-one
CID 522562
3-Methylglutaconic acid methyl ethyl ester
CID 5466576

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydropyran-6-one?
The IUPAC name of 4,5-dimethyl-2,3-dihydropyran-6-one (CID 10920516) is 4,5-dimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for 4,5-dimethyl-2,3-dihydropyran-6-one is CC1=C(C)C(=O)OCC1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydropyran-6-one?
The InChIKey is ZJBVHUCUCCHKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydropyran-6-one?
4,5-dimethyl-2,3-dihydropyran-6-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 4,5-dimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 10920516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).