ChemDB: Chemical Search
Download
Chemical ID: 3965168
Chemical ID:
3965168
Name [?]:
9-hydroxyoctadeca-10,12-dienoic acid
SMILES [?]:
CCCCCC=CC=CC(CCCCCCCC(=O)O)O
InChi [?]:
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,14,7,13,15,8,12,16,9,11,17,10,18,21,19,20/E:(20,21)/rA:21cCCCCCCCCCCCCCCCCCCOOO/rB:s1;s2;s3;s4;s5;w6;s7;w8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H32O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2705 |
Area: | 610.924 |
Solvation: | -3.00259 |
Coulombic: | -46.9315 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 14 |
Chiral: | 2 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 296.445 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.97 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|