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

C10H16O6 — CID 23263546

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

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

[(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate (PubChem CID 23263546) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate.

Molecular Properties

Compound Name[(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
PubChem CID23263546
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
SMILESCO[C@H]1O[C@@H]2CO[C@@H]([C@H]2OC(C)=O)[C@H]1OC
InChIInChI=1S/C10H16O6/c1-5(11)15-7-6-4-14-8(7)9(12-2)10(13-3)16-6/h6-10H,4H2,1-3H3/t6-,7+,8+,9-,10+/m1/s1
InChIKeyOQKGENNUBBUZJR-KBDSZGMXSA-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,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(8-hydroxy-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) acetate
CID 162417242
[(1R,2R,3S,4R,5R)-3,4-dimethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 14865255
[(3S,5R,6R)-3,5-diacetyloxy-2,6-dimethoxyoxan-4-yl] acetate
CID 134937092
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
(1R,3S,4R,5R)-3-methoxy-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 102212263
[(1R,2S,3S,4R,5R)-3,4-diacetyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 11415002
methyl 3,4-diacetyloxy-5,6-dimethoxyoxane-2-carboxylate
CID 537948
[(2R,3R,4S,5R)-2-acetyloxy-4,5-dimethoxyoxan-3-yl] acetate
CID 139499665
[(2R,4aR,6S,7R,8S,8aR)-7-acetyloxy-2-(3-chlorophenyl)-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
CID 11524167
[(4aR,6S,7R,8S,8aR)-7-acetyloxy-6-methoxy-2-(4-nitrophenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
CID 102574234
(1S,3R,4S,5S,8S)-3-methoxy-2,6-dioxabicyclo[3.2.1]octane-4,8-diol
CID 124680546

Frequently Asked Questions

What is the IUPAC name of [(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate?
The IUPAC name of [(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate (CID 23263546) is [(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate.
What is the SMILES notation for [(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate?
The canonical SMILES for [(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate is CO[C@H]1O[C@@H]2CO[C@@H]([C@H]2OC(C)=O)[C@H]1OC.
What is the InChIKey of [(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate?
The InChIKey is OQKGENNUBBUZJR-KBDSZGMXSA-N. The full InChI is InChI=1S/C10H16O6/c1-5(11)15-7-6-4-14-8(7)9(12-2)10(13-3)16-6/h6-10H,4H2,1-3H3/t6-,7+,8+,9-,10+/m1/s1.
What are the key properties of [(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate?
[(1R,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-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,3S,4R,5S,8S)-3,4-dimethoxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate is sourced from PubChem (CID 23263546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).