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

C8H10O4 — CID 131843119

IUPAC[(2R,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-/m1/s1
InChIKeyRKADDPYLNFMNRF-SVGQVSJJSA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds1

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

[(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate (PubChem CID 131843119) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate
PubChem CID131843119
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name[(2R,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-/m1/s1
InChIKeyRKADDPYLNFMNRF-SVGQVSJJSA-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

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Related Compounds

[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 11031606
(6-methyl-5-oxo-2H-pyran-2-yl) acetate
CID 13031642
[(2R,3S,5R,6R)-5,6-diacetyloxy-2-methyl-4-methylideneoxan-3-yl] acetate
CID 15332281
(3-oxo-4H-1,4-oxazin-2-yl) acetate
CID 143843630
(5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate
CID 75168992
[(3Z,3aR,4R,7aS)-3-(1-acetyloxyethylidene)-7a-methyl-5-oxo-3a,4-dihydro-1-benzofuran-4-yl] acetate
CID 102345881
[(2R,3S,4S)-5-acetyloxy-3-methyl-2-propan-2-yl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 160780876
(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
CID 22382233
[(3R,3aS,5R,6S,6aS)-5,6-dihydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl] acetate
CID 100977147
[(1R,2R,6S)-2-acetyloxy-5-oxo-6-propanoyloxycyclohex-3-en-1-yl] propanoate
CID 10613997
(3-methyl-2H-pyran-2-yl) acetate
CID 175253365
dimethyl (1S,4R,5S,6S,7R)-4-acetyloxy-3-(2-methylprop-1-enyl)-8-oxabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylate
CID 132565459

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate?
The IUPAC name of [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate (CID 131843119) is [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate?
The canonical SMILES for [(2R,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 [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate?
The InChIKey is RKADDPYLNFMNRF-SVGQVSJJSA-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-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate?
[(2R,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 [(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate is sourced from PubChem (CID 131843119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).