Chemical ID: 4929522

CCCc1cc(=O)oc2c1c(cc3c2C(C(C(O3)C)C)O)OC(C)C
Chemical ID:
4929522
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1c(cc3c2C(C(C(O3)C)C)O)OC(C)C
InChi [?]:
InChI=1/C20H26O5/c1-6-7-13-8-16(21)25-20-17(13)14(23-10(2)3)9-15-18(20)19(22)11(4)12(5)24-15/h8-12,19,22H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,25,20,19,2,3,5,12,23,16,17,4,11,13,6,10,14,15,9,7,21,22,18,8/E:(2,3)/rA:25cCCCCCCOOCCCCCCCCCOCCOOCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s14;s15;s16;s13s17;s17;s16;s15;s11;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:8.46006
Area:515.671
Solvation:-4.43172
Coulombic:-50.0972
Bond Count [?]
All:27
Single:22
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.417
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):3.95

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Descriptor Annotations

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