[(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C13H18O6 — CID 11196496

IUPAC[(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=CCO[C@@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C13H18O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h4-6,11-13H,1,7-8H2,2-3H3/t11-,12+,13-/m0/s1
InChIKeyINBKLMHYXUVHTH-XQQFMLRXSA-N
MW270.28 g/mol
LogP0.96
Rot. Bonds6

About [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 11196496) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID11196496
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name[(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESC=CCO[C@@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C13H18O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h4-6,11-13H,1,7-8H2,2-3H3/t11-,12+,13-/m0/s1
InChIKeyINBKLMHYXUVHTH-XQQFMLRXSA-N
XLogP0.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methyl acetate
CID 12809174
Ethyl 4,6-di-O-acetyl-2,3-dideoxy-alpha-D-erythro-hex-2-enopyranoside
CID 11821262
2H-Pyran-2-methanol, 3-(acetyloxy)-6-ethoxy-3,6-dihydro-, acetate
CID 349896
[2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
CID 16758931
(3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388309
alpha-D-erythro-Hex-2-enopyranose, 3-deoxy-, tetraacetate
CID 566840
[(2S,3R,6R)-2-methyl-6-propoxy-3,6-dihydro-2H-pyran-3-yl] acetate
CID 53323131
[(2R,3S,6R)-3-acetyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11807214
beta-D-Erythro-Hex-2-enopyranoside, methyl 2,3-dideoxy-, diacetate
CID 567640
[(2R,3S)-3-acetyloxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 12897405
((2R,3S)-3-Acetoxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 101013575
[(2R,3S,6R)-2-(ethoxycarbonyloxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] ethyl carbonate
CID 9548537

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 11196496) is [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is C=CCO[C@@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1.
What is the InChIKey of [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is INBKLMHYXUVHTH-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H18O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h4-6,11-13H,1,7-8H2,2-3H3/t11-,12+,13-/m0/s1.
What are the key properties of [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 270.28 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-acetyloxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 11196496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).