[(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate

C15H22O8 — CID 46909865

IUPAC[(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
SMILESC=CCO[C@@H]1O[C@@H]2CO[C@@H](C)O[C@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C15H22O8/c1-5-6-18-15-14(21-9(3)17)13(20-8(2)16)12-11(23-15)7-19-10(4)22-12/h5,10-15H,1,6-7H2,2-4H3/t10-,11-,12-,13+,14-,15-/m1/s1
InChIKeyOKPUXCLBYXUWNA-PLJUSGQGSA-N
MW330.33 g/mol
LogP0.54
Rot. Bonds5

About [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate

[(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate (PubChem CID 46909865) has the molecular formula C15H22O8 and a molecular weight of 330.33 g/mol. Its IUPAC name is [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate.

Molecular Properties

Compound Name[(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
PubChem CID46909865
Molecular FormulaC15H22O8
Molecular Weight330.33 g/mol
Exact Mass330.13
IUPAC Name[(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
SMILESC=CCO[C@@H]1O[C@@H]2CO[C@@H](C)O[C@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C15H22O8/c1-5-6-18-15-14(21-9(3)17)13(20-8(2)16)12-11(23-15)7-19-10(4)22-12/h5,10-15H,1,6-7H2,2-4H3/t10-,11-,12-,13+,14-,15-/m1/s1
InChIKeyOKPUXCLBYXUWNA-PLJUSGQGSA-N
XLogP0.54
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate?
The IUPAC name of [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate (CID 46909865) is [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate.
What is the SMILES notation for [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate?
The canonical SMILES for [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate is C=CCO[C@@H]1O[C@@H]2CO[C@@H](C)O[C@H]2[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate?
The InChIKey is OKPUXCLBYXUWNA-PLJUSGQGSA-N. The full InChI is InChI=1S/C15H22O8/c1-5-6-18-15-14(21-9(3)17)13(20-8(2)16)12-11(23-15)7-19-10(4)22-12/h5,10-15H,1,6-7H2,2-4H3/t10-,11-,12-,13+,14-,15-/m1/s1.
What are the key properties of [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate?
[(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate has a molecular weight of 330.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4aR,6R,7R,8S,8aR)-7-acetyloxy-2-methyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate is sourced from PubChem (CID 46909865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).