8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol

C9H16O6 — CID 552297

IUPAC8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol
SMILESCOC1OC2COC(C)OC(C2O)C1O
InChIInChI=1S/C9H16O6/c1-4-13-3-5-6(10)8(14-4)7(11)9(12-2)15-5/h4-11H,3H2,1-2H3
InChIKeyAIOZEBQFERWKOP-UHFFFAOYSA-N
MW220.22 g/mol
LogP-1.16
Rot. Bonds1

About 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol

8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol (PubChem CID 552297) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol.

Molecular Properties

Compound Name8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol
PubChem CID552297
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol
SMILESCOC1OC2COC(C)OC(C2O)C1O
InChIInChI=1S/C9H16O6/c1-4-13-3-5-6(10)8(14-4)7(11)9(12-2)15-5/h4-11H,3H2,1-2H3
InChIKeyAIOZEBQFERWKOP-UHFFFAOYSA-N
XLogP-1.16
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4aR,6S,7R,8S,8aS)-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 102240590
(1S,3R,4S,5S,8S)-3-methoxy-2,6-dioxabicyclo[3.2.1]octane-4,8-diol
CID 124680546
(1R,3S,4R,5R)-3-methoxy-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 102212263
deuterio(fluoro)methane;6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 159072924
(8-hydroxy-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) acetate
CID 162417242
(4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 56632590
2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816
(6R,8R,8aS)-6-ethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 176586129
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(2R,4aS,6S,7R,8S,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 124811135
(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 91271052
(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 54419182

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol?
The IUPAC name of 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol (CID 552297) is 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol.
What is the SMILES notation for 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol?
The canonical SMILES for 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol is COC1OC2COC(C)OC(C2O)C1O.
What is the InChIKey of 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol?
The InChIKey is AIOZEBQFERWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-4-13-3-5-6(10)8(14-4)7(11)9(12-2)15-5/h4-11H,3H2,1-2H3.
What are the key properties of 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol?
8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol has a molecular weight of 220.22 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol is sourced from PubChem (CID 552297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).