4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol

C7H12O6 — CID 19988411

IUPAC4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol
SMILESCOC1C2OCC(O)(O2)C(O)C1O
InChIInChI=1S/C7H12O6/c1-11-4-3(8)5(9)7(10)2-12-6(4)13-7/h3-6,8-10H,2H2,1H3
InChIKeyFWOHDUSGPCOXJE-UHFFFAOYSA-N
MW192.17 g/mol
LogP-2.20
Rot. Bonds1

About 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol

4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol (PubChem CID 19988411) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol.

Molecular Properties

Compound Name4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol
PubChem CID19988411
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol
SMILESCOC1C2OCC(O)(O2)C(O)C1O
InChIInChI=1S/C7H12O6/c1-11-4-3(8)5(9)7(10)2-12-6(4)13-7/h3-6,8-10H,2H2,1H3
InChIKeyFWOHDUSGPCOXJE-UHFFFAOYSA-N
XLogP-2.20
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutane;(1S,3R,6S,8R,11R,13R,16R,18R,21S,23R,26S,28R,31S,33R,37S,39S,41S,43S,44R,46R,48R)-5,20,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-11,16,36,37,38,39,40,41,42,43,44,45,46,47,48,49-hexadecol
CID 159599188
(1S,4S,5R,6S,7S,9R,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 162850473
(1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
CID 51003894
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(3S)-4-methoxy-3-methyl-2,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 122596436
(1R,4R)-3-(hydroxymethyl)-5-methoxy-2,7-dioxabicyclo[4.1.0]heptane-1,4-diol
CID 89222329
3-ethyl-2,7-dioxabicyclo[4.2.0]octane-1,4,5-triol
CID 91399174
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
(1S,4S,5R,6S,7S,9R,11S)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol
CID 162992025
(3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide
CID 70871295
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 101252067
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 637312

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol?
The IUPAC name of 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol (CID 19988411) is 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol.
What is the SMILES notation for 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol?
The canonical SMILES for 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol is COC1C2OCC(O)(O2)C(O)C1O.
What is the InChIKey of 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol?
The InChIKey is FWOHDUSGPCOXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c1-11-4-3(8)5(9)7(10)2-12-6(4)13-7/h3-6,8-10H,2H2,1H3.
What are the key properties of 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol?
4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol has a molecular weight of 192.17 g/mol, XLogP of -2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6,8-dioxabicyclo[3.2.1]octane-1,2,3-triol is sourced from PubChem (CID 19988411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).