[(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate

C10H16O6 — CID 14865255

IUPAC[(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
SMILESCO[C@@H]1[C@@H](OC)[C@@H]2OC[C@@H](O2)[C@H]1OC(C)=O
InChIInChI=1S/C10H16O6/c1-5(11)15-7-6-4-14-10(16-6)9(13-3)8(7)12-2/h6-10H,4H2,1-3H3/t6-,7-,8+,9-,10-/m1/s1
InChIKeyMKXKDFLUWKVUSP-HOTMZDKISA-N
MW232.23 g/mol
LogP-0.30
Rot. Bonds3

About [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate

[(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate (PubChem CID 14865255) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate.

Molecular Properties

Compound Name[(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
PubChem CID14865255
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
SMILESCO[C@@H]1[C@@H](OC)[C@@H]2OC[C@@H](O2)[C@H]1OC(C)=O
InChIInChI=1S/C10H16O6/c1-5(11)15-7-6-4-14-10(16-6)9(13-3)8(7)12-2/h6-10H,4H2,1-3H3/t6-,7-,8+,9-,10-/m1/s1
InChIKeyMKXKDFLUWKVUSP-HOTMZDKISA-N
XLogP-0.30
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate with MolForge

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Related Compounds

[(1R,2S,3S,4R,5R)-3,4-diacetyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 11415002
(1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 99734634
[(1S,2R,3R,4S,5S)-4-acetyloxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 51346406
[(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
CID 23263546
[(1R,2R,3S,4R,5R)-2-acetyloxy-4-benzoyloxy-6,8-dioxabicyclo[3.2.1]octan-3-yl] benzoate
CID 101241843
[(1R,2R,3R,6S,7S,8S,9R)-11,12-dioxatetracyclo[7.2.1.13,6.02,7]tridecan-8-yl] acetate
CID 10561899
[(1R,2R,3S,4R,5R)-4-acetyloxy-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 14033686
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(1R,2R,3S,4R,5R)-3,4-diacetyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]oxan-2-yl]methyl acetate
CID 13021233
(2S,3S,4S,5R,6R)-6-[[(1S,2R,3S,4R,5R)-3-acetyloxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-4,5-dimethoxy-3-(4-oxopentanoyloxy)oxane-2-carboxylic acid
CID 23281558
[(1R,2S,3S,4R,5R)-3-hydroxy-4-(2-methylprop-2-enoyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] 2-methylprop-2-enoate
CID 10236484
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[[(1R,3S,4R,5R)-3,4-diacetyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3-hydroxyoxan-2-yl]methyl acetate
CID 171991255
[(3R,5R,6R)-5,6-diacetyloxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 45050652

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate?
The IUPAC name of [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate (CID 14865255) is [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate.
What is the SMILES notation for [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate?
The canonical SMILES for [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate is CO[C@@H]1[C@@H](OC)[C@@H]2OC[C@@H](O2)[C@H]1OC(C)=O.
What is the InChIKey of [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate?
The InChIKey is MKXKDFLUWKVUSP-HOTMZDKISA-N. The full InChI is InChI=1S/C10H16O6/c1-5(11)15-7-6-4-14-10(16-6)9(13-3)8(7)12-2/h6-10H,4H2,1-3H3/t6-,7-,8+,9-,10-/m1/s1.
What are the key properties of [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate?
[(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate has a molecular weight of 232.23 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate is sourced from PubChem (CID 14865255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).