Chemical ID: 6660463

c1cc2c(cc1CC3COC(C3Cc4ccc5c(c4)OCO5)O)OCO2
Chemical ID:
6660463
Name [?]:
3,4-bis(benzo[1,3]dioxol-5-ylmethyl)tetrahydrofuran-2-ol
SMILES [?]:
c1cc2c(cc1CC3COC(C3Cc4ccc5c(c4)OCO5)O)OCO2
InChi [?]:
InChI=1/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2
InChi Info:
AuxInfo=1/0/N:1,15,2,16,7,13,5,19,9,25,21,6,14,8,12,3,17,4,18,11,23,10,26,22,24,20/rA:26cCCCCCCCCCOCCCCCCCCCOCOOOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;s11;s4;s24;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:3
ZAP Information [?]
Total:6.72858
Area:544.377
Solvation:-6.88083
Coulombic:-57.7136
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:356.369
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.99
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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