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Chemical ID: 5196735
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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