[3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate

C11H16O6 — CID 76526341

IUPAC[3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate
SMILESCOC1=CC(=O)OC(C(O)CCOC(C)=O)C1
InChIInChI=1S/C11H16O6/c1-7(12)16-4-3-9(13)10-5-8(15-2)6-11(14)17-10/h6,9-10,13H,3-5H2,1-2H3
InChIKeyLQQPRBZJTPLMFL-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.15
Rot. Bonds5

About [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate

[3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate (PubChem CID 76526341) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate.

Molecular Properties

Compound Name[3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate
PubChem CID76526341
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name[3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate
SMILESCOC1=CC(=O)OC(C(O)CCOC(C)=O)C1
InChIInChI=1S/C11H16O6/c1-7(12)16-4-3-9(13)10-5-8(15-2)6-11(14)17-10/h6,9-10,13H,3-5H2,1-2H3
InChIKeyLQQPRBZJTPLMFL-UHFFFAOYSA-N
XLogP0.15
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate with MolForge

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Related Compounds

[(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate
CID 57409273
(2S)-2-[(1S)-1,3-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
CID 59052169
(2R)-4-methoxy-2-[(2R,4S)-4-methyl-6-oxoheptan-2-yl]-2,3-dihydropyran-6-one
CID 146683654
4-methoxy-2-(2,4,8-trihydroxy-3,7,9-trimethylundeca-5,9-dienyl)-2,3-dihydropyran-6-one
CID 163050130
2-(dimethoxymethyl)-4-hydroxy-2,3-dihydropyran-6-one
CID 54723292
2-[2-(4-chlorophenoxy)propan-2-yl]-4-methoxy-2,3-dihydropyran-6-one
CID 12851238
2-(3-oxocyclobutyl)ethyl acetate
CID 72736668
4-hydroxy-2-(1-methoxyethyl)-2,3-dihydropyran-6-one
CID 58361815
[2-hydroxy-2-(3-hydroxy-4-methoxy-5-oxo-2H-furan-2-yl)ethyl] acetate
CID 54732327
2-[(2S,3S)-2-(iodomethyl)-5-oxooxolan-3-yl]ethyl acetate
CID 56957630
(2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one
CID 135055167
[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate
CID 51050664

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate?
The IUPAC name of [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate (CID 76526341) is [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate.
What is the SMILES notation for [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate?
The canonical SMILES for [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate is COC1=CC(=O)OC(C(O)CCOC(C)=O)C1.
What is the InChIKey of [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate?
The InChIKey is LQQPRBZJTPLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-7(12)16-4-3-9(13)10-5-8(15-2)6-11(14)17-10/h6,9-10,13H,3-5H2,1-2H3.
What are the key properties of [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate?
[3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate has a molecular weight of 244.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)propyl] acetate is sourced from PubChem (CID 76526341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).