[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate

C8H10O4 — CID 71413762

IUPAC[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)[C@H](C)O1
InChIInChI=1S/C8H10O4/c1-5-7(10)3-4-8(11-5)12-6(2)9/h3-5,8H,1-2H3/t5-,8-/m0/s1
InChIKeyGMRFAZZMYGJAQO-XNCJUZBTSA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds1

About [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate

[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate (PubChem CID 71413762) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate.

Molecular Properties

Compound Name[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate
PubChem CID71413762
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)[C@H](C)O1
InChIInChI=1S/C8H10O4/c1-5-7(10)3-4-8(11-5)12-6(2)9/h3-5,8H,1-2H3/t5-,8-/m0/s1
InChIKeyGMRFAZZMYGJAQO-XNCJUZBTSA-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

3-[(2,5-Dihydro-4-methyl-5-oxo-2-furanyl)oxy]-2-methyl-4H-pyran-4-one
CID 122641511
6-methoxy-3,6-dihydro-2H-pyran-3-one
CID 13011785
2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
[(2S,6R)-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 11402978
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53249073
[(2S,6R)-2-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305266
[(2S,6R)-2-isobutoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305267
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305268
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305412
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305415
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 54582354
[(2R,6S)-3-Oxo-6-(propan-2-yloxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 54584293

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate?
The IUPAC name of [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate (CID 71413762) is [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate.
What is the SMILES notation for [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate?
The canonical SMILES for [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate is CC(=O)O[C@H]1C=CC(=O)[C@H](C)O1.
What is the InChIKey of [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate?
The InChIKey is GMRFAZZMYGJAQO-XNCJUZBTSA-N. The full InChI is InChI=1S/C8H10O4/c1-5-7(10)3-4-8(11-5)12-6(2)9/h3-5,8H,1-2H3/t5-,8-/m0/s1.
What are the key properties of [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate?
[(2S,6S)-6-methyl-5-oxo-2H-pyran-2-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,6S)-6-methyl-5-oxo-2H-pyran-2-yl] acetate is sourced from PubChem (CID 71413762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).