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Chemical ID: 3967093
Chemical ID:
3967093
Name [?]:
isopropyl 7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
SMILES [?]:
CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O
InChi [?]:
InChI=1/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,3,4,5,19,20,6,18,21,7,17,22,10,11,14,26,8,16,12,15,13,23,9,29,30,24,25/E:(2,3)/rA:30cCCCCCCCCOCCCCCCCCCCCCCCOOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s12s15;s16;s17;w18;s19;s20;s21;s22;d23;s23;s25;s26;s26;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H44O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 13.98 |
Area: | 770.317 |
Solvation: | -5.27793 |
Coulombic: | -61.0674 |
Bond Count [?]
All: | 30 |
Single: | 27 |
Double: | 3 |
Rotors: | 17 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 424.614 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.39 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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