Chemical ID: 4914238

CCC(=O)C12C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C
Chemical ID:
4914238
Name [?]:
None
SMILES [?]:
CCC(=O)C12C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C
InChi [?]:
InChI=1/C13H20O6/c1-6-7(14)13-9(16-12(4,5)19-13)8-10(18-13)17-11(2,3)15-8/h8-10H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,13,14,18,19,2,3,7,6,8,11,16,5,4,12,15,10,9,17/E:(2,3)(4,5)/rA:19cCCCOCCCCOOCOCCOCOCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s8;s10;s7s11;s11;s11;s6;s15;s5s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O6
All Atoms:19
Heavy Atoms:19
Chiral Atoms:4
ZAP Information [?]
Total:3.94344
Area:413.717
Solvation:-6.3995
Coulombic:-52.048
Bond Count [?]
All:21
Single:20
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:272.294
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.73
LogP (Chemaxon):3.18

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