Chemical ID: 3964662

CCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)O)O)O
Chemical ID:
3964662
Name [?]:
7-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
SMILES [?]:
CCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)O)O)O
InChi [?]:
InChI=1/C20H34O5/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/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,18,4,16,19,5,15,20,8,9,12,6,14,10,13,11,21,7,24,25,22,23/E:(24,25)/rA:25cCCCCCCOCCCCCCCCCCCCCCOOOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s10s13;s14;s15;w16;s17;s18;s19;s20;d21;s21;s13;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H34O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:10.741
Area:642.406
Solvation:-5.31917
Coulombic:-67.791
Bond Count [?]
All:25
Single:22
Double:3
Rotors:13
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:354.481
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.05
LogP (Chemaxon):3.43

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Descriptor Annotations

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