Chemical ID: 3964663

CCCCCC(CCC1C(CC(=O)C1CCCCCCC(=O)O)O)O
Chemical ID:
3964663
Name [?]:
7-[3-hydroxy-2-(3-hydroxyoctyl)-5-oxo-cyclopentyl]heptanoic acid
SMILES [?]:
CCCCCC(CCC1C(CC(=O)C1CCCCCCC(=O)O)O)O
InChi [?]:
InChI=1/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,18,4,16,19,5,15,20,7,8,11,6,14,9,12,10,21,25,13,24,22,23/E:(24,25)/rA:25cCCCCCCCCCCCCOCCCCCCCCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s9s12;s14;s15;s16;s17;s18;s19;s20;d21;s21;s10;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H36O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:11.2326
Area:654.834
Solvation:-5.13822
Coulombic:-67.5898
Bond Count [?]
All:25
Single:23
Double:2
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:356.497
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.56
LogP (Chemaxon):4.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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