4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol

C7H12O5 — CID 21353693

IUPAC4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol
SMILESCOC1C(O)OC2COC1C2O
InChIInChI=1S/C7H12O5/c1-10-6-5-4(8)3(2-11-5)12-7(6)9/h3-9H,2H2,1H3
InChIKeyQNEZHFKWMFTKLP-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.52
Rot. Bonds1

About 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol

4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol (PubChem CID 21353693) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol.

Molecular Properties

Compound Name4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol
PubChem CID21353693
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol
SMILESCOC1C(O)OC2COC1C2O
InChIInChI=1S/C7H12O5/c1-10-6-5-4(8)3(2-11-5)12-7(6)9/h3-9H,2H2,1H3
InChIKeyQNEZHFKWMFTKLP-UHFFFAOYSA-N
XLogP-1.52
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,3S,4R,5R,8R)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol
CID 57197659
(1R,3S,4R,5R,8S)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol
CID 57323795
(1S,3R,4S,5S,8S)-3-methoxy-2,6-dioxabicyclo[3.2.1]octane-4,8-diol
CID 124680546
(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
(1R,3S,4R,5R)-3-methoxy-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 102212263
8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol
CID 552297
(4aR,6R,7R,8S,8aR)-7-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,8-diol
CID 67603919
2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620819
(3aS,7R)-7-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 59047968
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
(1S,2S,3R,4S,5R,6S)-5-methoxy-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 130831191
2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol?
The IUPAC name of 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol (CID 21353693) is 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol.
What is the SMILES notation for 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol?
The canonical SMILES for 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol is COC1C(O)OC2COC1C2O.
What is the InChIKey of 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol?
The InChIKey is QNEZHFKWMFTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-10-6-5-4(8)3(2-11-5)12-7(6)9/h3-9H,2H2,1H3.
What are the key properties of 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol?
4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol has a molecular weight of 176.17 g/mol, XLogP of -1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dioxabicyclo[3.2.1]octane-3,8-diol is sourced from PubChem (CID 21353693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).