[(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate

C11H16O6 — CID 11413855

IUPAC[(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate
SMILESC=C1CO[C@@H](OC)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C11H16O6/c1-6-5-15-11(14-4)10(17-8(3)13)9(6)16-7(2)12/h9-11H,1,5H2,2-4H3/t9-,10-,11-/m1/s1
InChIKeyXCTNNAOAMSZWSG-GMTAPVOTSA-N
MW244.24 g/mol
LogP0.41
Rot. Bonds3

About [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate

[(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate (PubChem CID 11413855) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate
PubChem CID11413855
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name[(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate
SMILESC=C1CO[C@@H](OC)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C11H16O6/c1-6-5-15-11(14-4)10(17-8(3)13)9(6)16-7(2)12/h9-11H,1,5H2,2-4H3/t9-,10-,11-/m1/s1
InChIKeyXCTNNAOAMSZWSG-GMTAPVOTSA-N
XLogP0.41
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.41
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

6,7-dideoxy-1,2,3,4-tetraacetate-L-galacto-hept-6-enopyranose
CID 58013660
[(3R,4R,5S)-4,5,6-tris(2-methylprop-2-enoyloxy)oxan-3-yl] 2-methylprop-2-enoate
CID 58480234
[5-(1,3-Dioxan-2-yl)-2-methylpent-1-en-3-yl] acetate
CID 14173484
[1-(1,3-Dioxan-2-yl)-4-methylidenehexan-3-yl] acetate
CID 14173485
[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101234062
Methyl 2,3,4-tri-O-acetyl-6-deoxy-alpha-D-xylo-hex-5-enopyranoside
CID 11055755
2,3,4,5-Tetramethoxy-6-methylideneoxane
CID 14374461
[(3S,4R,5R,6S)-2,3,5-triacetyloxy-6-prop-1-en-2-yloxan-4-yl] acetate
CID 44544535
[(2S,3R,4R,5S)-4,5,6-triacetyloxy-2-propa-1,2-dienyloxan-3-yl] acetate
CID 44544737
[(2R,3R,4S,5S)-3,5-diacetyloxy-2-methoxy-6-methylideneoxan-4-yl] acetate
CID 49787932
[(4R,5S)-4,5,6-tris(2-methylprop-2-enoyloxy)oxan-3-yl] 2-methylprop-2-enoate
CID 67963097
(6-Ethoxy-4,5-dihydroxy-2-methylideneoxan-3-yl) acetate
CID 68012504

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate (CID 11413855) is [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate is C=C1CO[C@@H](OC)[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate?
The InChIKey is XCTNNAOAMSZWSG-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H16O6/c1-6-5-15-11(14-4)10(17-8(3)13)9(6)16-7(2)12/h9-11H,1,5H2,2-4H3/t9-,10-,11-/m1/s1.
What are the key properties of [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate?
[(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate has a molecular weight of 244.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-4-acetyloxy-2-methoxy-5-methylideneoxan-3-yl] acetate is sourced from PubChem (CID 11413855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).