ChemDB: Chemical Search
Download
Chemical ID: 5167636
Chemical ID:
5167636
Name [?]:
11-hydroxypentadecanoic acid
SMILES [?]:
CCCCC(CCCCCCCCCC(=O)O)O
InChi [?]:
InChI=1/C15H30O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,10,9,11,8,12,7,13,4,6,14,5,15,18,16,17/E:(17,18)/rA:18cCCCCCCCCCCCCCCCOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s5;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H30O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8723 |
Area: | 545.842 |
Solvation: | -2.77378 |
Coulombic: | -45.0937 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 258.397 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.92 |
LogP (Chemaxon): | 4.16 |
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 |
---|