Chemical ID: 3966384

CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
Chemical ID:
3966384
Name [?]:
7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid
SMILES [?]:
CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,17,4,15,18,5,14,19,7,8,11,6,13,9,12,10,20,25,23,24,21,22/E:(24,25)/rA:25cCCCCCCCCCCCCCCCCCCCCOOOOO/rB:s1;s2;s3;s4;s5;s6;w7;s8;s9;s10;s11;s9s12;s13;s14;w15;s16;s17;s18;s19;d20;s20;s12;s10;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H34O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:5
ZAP Information [?]
Total:10.8099
Area:646.282
Solvation:-5.34712
Coulombic:-79.2211
Bond Count [?]
All:25
Single:22
Double:3
Rotors:12
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:354.481
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:3.2
LogP (Chemaxon):3.1

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Descriptor Annotations

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