methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

C14H22O6 — CID 10660856

IUPACmethyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@H]2O[C@@H](CC(=O)OC)CC[C@H]2O1
InChIInChI=1S/C14H22O6/c1-17-13(15)7-9-3-5-12-11(19-9)6-4-10(20-12)8-14(16)18-2/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeyVITVTEZEVBVMKW-DDHJBXDOSA-N
MW286.32 g/mol
LogP1.21
Rot. Bonds4

About methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate (PubChem CID 10660856) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
PubChem CID10660856
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Namemethyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@H]2O[C@@H](CC(=O)OC)CC[C@H]2O1
InChIInChI=1S/C14H22O6/c1-17-13(15)7-9-3-5-12-11(19-9)6-4-10(20-12)8-14(16)18-2/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeyVITVTEZEVBVMKW-DDHJBXDOSA-N
XLogP1.21
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?
The IUPAC name of methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate (CID 10660856) is methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate is COC(=O)C[C@H]1CC[C@H]2O[C@@H](CC(=O)OC)CC[C@H]2O1.
What is the InChIKey of methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?
The InChIKey is VITVTEZEVBVMKW-DDHJBXDOSA-N. The full InChI is InChI=1S/C14H22O6/c1-17-13(15)7-9-3-5-12-11(19-9)6-4-10(20-12)8-14(16)18-2/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?
methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate has a molecular weight of 286.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4aR,6R,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate is sourced from PubChem (CID 10660856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).