(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one

C7H10O2 — CID 14056133

IUPAC(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
SMILESC[C@H]1C=CC(=O)O[C@@H]1C
InChIInChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyDINPTKZWHXGJED-NTSWFWBYSA-N
MW126.15 g/mol
LogP1.12
Rot. Bonds

About (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one

(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one (PubChem CID 14056133) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
PubChem CID14056133
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
SMILESC[C@H]1C=CC(=O)O[C@@H]1C
InChIInChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyDINPTKZWHXGJED-NTSWFWBYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-2,3-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

(2S,3R)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 10080412
(5S,6S,7S,9R,15S,16R)-6-hydroxy-5,7,9,15,16-pentamethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
CID 90787160
(3E,5S,6S,9R,11E,13E,15S,16R)-6-hydroxy-5,7,9,15,16-pentamethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
CID 177451031
(2-methyl-6-oxo-2,3-dihydropyran-3-yl) methanesulfonate
CID 134868085
2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one
CID 130145201
(4R,7E,9S,10R,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 163041353
(4R,7Z,9R,10S,13Z,15R,16R)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 163041350
(3E,5R,6R,9E,11R,14R)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
CID 42644295
(3E,5S,6R,9E,11R,14R)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
CID 10469094
(2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one
CID 101160062
2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one
CID 129252172
(2S)-2-hydroxy-2H-furan-5-one
CID 11073352

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one (CID 14056133) is (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one is C[C@H]1C=CC(=O)O[C@@H]1C.
What is the InChIKey of (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one?
The InChIKey is DINPTKZWHXGJED-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h3-6H,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one?
(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one has a molecular weight of 126.15 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 14056133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).