Chemical ID: 5196735

CC1=CC2C(CC3C1C(CC3(C)OC(=O)C)OC(=O)C)C(=C)C(=O)O2
Chemical ID:
5196735
Name [?]:
None
SMILES [?]:
CC1=CC2C(CC3C1C(CC3(C)OC(=O)C)OC(=O)C)C(=C)C(=O)O2
InChi [?]:
InChI=1/C19H24O6/c1-9-6-15-13(10(2)18(22)24-15)7-14-17(9)16(23-11(3)20)8-19(14,5)25-12(4)21/h6,13-17H,2,7-8H2,1,3-5H3
InChi Info:
AuxInfo=1/0/N:1,22,20,16,12,3,6,10,2,21,18,14,5,7,4,9,8,23,11,19,15,24,17,25,13/rA:25cCCCCCCCCCCCCOCOCOCOCCCCOO/rB:s1;d2;s3;s4;s5;s6;s2s7;s8;s9;s7s10;s11;s11;s13;d14;s14;s9;s17;d18;s18;s5;d21;s21;d23;s4s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:6
ZAP Information [?]
Total:8.63558
Area:528.302
Solvation:-4.57196
Coulombic:-55.041
Bond Count [?]
All:27
Single:22
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:348.39
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.04
LogP (Chemaxon):0.88

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