5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole

C20H18O8 — CID 162998944

IUPAC5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole
SMILESc1cc2c(cc1O[C@H]1OC[C@@H]3[C@@H](Oc4ccc5c(c4)OCO5)OC[C@H]13)OCO2
InChIInChI=1S/C20H18O8/c1-3-15-17(25-9-23-15)5-11(1)27-19-13-7-22-20(14(13)8-21-19)28-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
InChIKeyXFIZIOXWCHEWOX-AFHBHXEDSA-N
MW386.36 g/mol
LogP2.55
Rot. Bonds4

About 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole

5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole (PubChem CID 162998944) has the molecular formula C20H18O8 and a molecular weight of 386.36 g/mol. Its IUPAC name is 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole
PubChem CID162998944
Molecular FormulaC20H18O8
Molecular Weight386.36 g/mol
Exact Mass386.10
IUPAC Name5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole
SMILESc1cc2c(cc1O[C@H]1OC[C@@H]3[C@@H](Oc4ccc5c(c4)OCO5)OC[C@H]13)OCO2
InChIInChI=1S/C20H18O8/c1-3-15-17(25-9-23-15)5-11(1)27-19-13-7-22-20(14(13)8-21-19)28-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
InChIKeyXFIZIOXWCHEWOX-AFHBHXEDSA-N
XLogP2.55
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole 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

5-[(3R,6R)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
CID 101066122
2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine
CID 43211648
4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
CID 142009570
[2-(1,3-benzodioxol-5-yloxy)cyclohexyl]methanamine
CID 43294080
1,3-benzodioxol-5-yloxy-chloro-oxophosphanium
CID 123817005
2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
CID 63868415
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
(3S,4R,5R)-2-[4-(1,3-benzodioxol-5-yl)naphthalen-1-yl]oxyoxane-3,4,5-triol
CID 139488858
(3S,3aS,6S,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-ol
CID 10988689
6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
CID 123641845
5-(4-ethylphenoxy)-1,3-benzodioxole
CID 142013581
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]azetidine
CID 107391556

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole?
The IUPAC name of 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole (CID 162998944) is 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole.
What is the SMILES notation for 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole?
The canonical SMILES for 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole is c1cc2c(cc1O[C@H]1OC[C@@H]3[C@@H](Oc4ccc5c(c4)OCO5)OC[C@H]13)OCO2.
What is the InChIKey of 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole?
The InChIKey is XFIZIOXWCHEWOX-AFHBHXEDSA-N. The full InChI is InChI=1S/C20H18O8/c1-3-15-17(25-9-23-15)5-11(1)27-19-13-7-22-20(14(13)8-21-19)28-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1.
What are the key properties of 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole?
5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole has a molecular weight of 386.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole is sourced from PubChem (CID 162998944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).