[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate

C8H10O4 — CID 101050885

IUPAC[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CC=CC(=O)O1
InChIInChI=1S/C8H10O4/c1-6(9)11-5-7-3-2-4-8(10)12-7/h2,4,7H,3,5H2,1H3/t7-/m1/s1
InChIKeyYYMTVNMFEZCHQC-SSDOTTSWSA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds2

About [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate

[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate (PubChem CID 101050885) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate
PubChem CID101050885
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CC=CC(=O)O1
InChIInChI=1S/C8H10O4/c1-6(9)11-5-7-3-2-4-8(10)12-7/h2,4,7H,3,5H2,1H3/t7-/m1/s1
InChIKeyYYMTVNMFEZCHQC-SSDOTTSWSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The IUPAC name of [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate (CID 101050885) is [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The canonical SMILES for [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate is CC(=O)OC[C@H]1CC=CC(=O)O1.
What is the InChIKey of [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate?
The InChIKey is YYMTVNMFEZCHQC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10O4/c1-6(9)11-5-7-3-2-4-8(10)12-7/h2,4,7H,3,5H2,1H3/t7-/m1/s1.
What are the key properties of [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate?
[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate has a molecular weight of 170.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl acetate is sourced from PubChem (CID 101050885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).