[(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate

C8H10O4 — CID 10352110

IUPAC[(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)C=CO[C@H]1C
InChIInChI=1S/C8H10O4/c1-5-8(12-6(2)9)7(10)3-4-11-5/h3-5,8H,1-2H3/t5-,8+/m0/s1
InChIKeyRKADDPYLNFMNRF-YLWLKBPMSA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds1

About [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate

[(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate (PubChem CID 10352110) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate
PubChem CID10352110
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name[(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)C=CO[C@H]1C
InChIInChI=1S/C8H10O4/c1-5-8(12-6(2)9)7(10)3-4-11-5/h3-5,8H,1-2H3/t5-,8+/m0/s1
InChIKeyRKADDPYLNFMNRF-YLWLKBPMSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate 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 [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate?
The IUPAC name of [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate (CID 10352110) is [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate.
What is the SMILES notation for [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate?
The canonical SMILES for [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate is CC(=O)O[C@H]1C(=O)C=CO[C@H]1C.
What is the InChIKey of [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate?
The InChIKey is RKADDPYLNFMNRF-YLWLKBPMSA-N. The full InChI is InChI=1S/C8H10O4/c1-5-8(12-6(2)9)7(10)3-4-11-5/h3-5,8H,1-2H3/t5-,8+/m0/s1.
What are the key properties of [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate?
[(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate has a molecular weight of 170.16 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate is sourced from PubChem (CID 10352110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).