Chemical ID: 3963982

CCCc1cc(=O)oc2c1c3c(c4c2C(C(C(O4)C)C)O)CCC(O3)(C)C
Chemical ID:
3963982
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1c3c(c4c2C(C(C(O4)C)C)O)CCC(O3)(C)C
InChi [?]:
InChI=1/C22H28O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h10-12,18,24H,6-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,19,26,27,2,3,22,23,5,16,17,4,12,6,10,14,15,13,11,9,24,7,21,18,8,25/E:(4,5)/rA:27cCCCCCCOOCCCCCCCCCOCCOCCCOCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s14;s15;s16;s13s17;s17;s16;s15;s12;s22;s23;s11s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:3
ZAP Information [?]
Total:9.1277
Area:537.866
Solvation:-4.31894
Coulombic:-50.4562
Bond Count [?]
All:30
Single:25
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:372.455
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):4.06

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Descriptor Annotations

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