This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

5,5'-Oxybis(5-methylene-2-furaldehyde)

PubChem CID: 12366272

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Cirsiumaldehyde, 7389-38-0, 5,5'-Oxybis(5-methylene-2-furaldehyde), O-Bisme-furaldehyde, 5-[(5-formylfuran-2-yl)methoxymethyl]furan-2-carbaldehyde, 5,5'-(Oxybis(methylene))bis(furan-2-carbaldehyde), DTXSID90224470, 2-Furancarboxaldehyde, 5,5'-(oxybis(methylene))bis-, 5-((5-formylfuran-2-yl)methoxymethyl)furan-2-carbaldehyde, bis(5-formylfurfuryl)ether, SCHEMBL278333, DTXCID90146961, AKOS040763759, HY-W357642, DA-60395, TS-10180, XC172932, CS-0468782, 5,5' pound Oxy-bis(methylene))bis-2-furfural, F74608, Cirsiumaldehyde??5,5??-oxydimethylenebis(2-furfural), 5-{[(5-FORMYLFURAN-2-YL)METHOXY]METHYL}FURAN-2-CARBALDEHYDE
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 69.7
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(CCCC2CCCC2)C1
Np Classifier Class Furans
Deep Smiles O=Ccccco5)COCcccco5)C=O
Heavy Atom Count 17.0
Classyfire Class Organooxygen compounds
Scaffold Graph Node Level C1COC(COCC2CCCO2)C1
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 242.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5-[(5-formylfuran-2-yl)methoxymethyl]furan-2-carbaldehyde
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp 0.9
Gsk 4 400 Rule True
Molecular Formula C12H10O5
Scaffold Graph Node Bond Level c1coc(COCc2ccco2)c1
Prediction Swissadme 0.0
Inchi Key TZTWOBUHCLWLNK-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.1666666666666666
Logs -2.185
Rotatable Bond Count 6.0
Logd 1.824
Synonyms 5,5'-oxy-dimethylene-bis-(2-furaldehyde)
Esol Class Very soluble
Functional Groups COC, cC=O, coc
Compound Name 5,5'-Oxybis(5-methylene-2-furaldehyde)
Prediction Hob Swissadme 0.0
Exact Mass 234.053
Formal Charge 0.0
Monoisotopic Mass 234.053
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 234.2
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -1.8731775176470584
Inchi InChI=1S/C12H10O5/c13-5-9-1-3-11(16-9)7-15-8-12-4-2-10(6-14)17-12/h1-6H,7-8H2
Smiles C1=C(OC(=C1)C=O)COCC2=CC=C(O2)C=O
Nring 2.0
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Cyclic polyketides