ChemDB: Chemical Search
Download
Chemical ID: 6694001
Chemical ID:
6694001
Name [?]:
octadec-12-enoic acid
SMILES [?]:
CCCCCC=CCCCCCCCCCCC(=O)O
InChi [?]:
InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8-17H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20/E:(19,20)/rA:20nCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;w6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H34O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5239 |
Area: | 605.599 |
Solvation: | -1.61608 |
Coulombic: | -30.708 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 15 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 282.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.5 |
LogP (Chemaxon): | 6.14 |
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 |
---|