ChemDB: Chemical Search
Download
Chemical ID: 6919522
Chemical ID:
6919522
Name [?]:
5-heptadec-12-enylbenzene-1,3-diol
SMILES [?]:
CCCCC=CCCCCCCCCCCCc1cc(cc(c1)O)O
InChi [?]:
InChI=1/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,18-20,24-25H,2-4,7-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,19,23,21,18,20,22,25,24/E:(18,19)(22,23)(24,25)/rA:25nCCCCCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;w5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H38O2 |
All Atoms: | 63 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.9891 |
Area: | 697.5 |
Solvation: | -2.44843 |
Coulombic: | -37.6258 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 15 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 346.547 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 8.23 |
LogP (Chemaxon): | 8.03 |
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 |
---|