ChemDB: Chemical Search
Download
Chemical ID: 5226917
Chemical ID:
5226917
Name [?]:
None
SMILES [?]:
CC1(CCCC2(C1CCC34C2(O3)CC(CC4)OC)C)COC
InChi [?]:
InChI=1/C19H32O3/c1-16(13-20-3)8-5-9-17(2)15(16)7-11-18-10-6-14(21-4)12-19(17,18)22-18/h14-15H,5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,22,18,4,15,8,3,5,16,9,13,20,14,7,2,6,10,11,21,17,12/rA:22cCCCCCCCCCCCOCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s6s10;s10s11;s11;s13;s14;s10s15;s14;s17;s6;s2;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 7.52347 |
Area: | 481.299 |
Solvation: | -4.509 |
Coulombic: | -25.9504 |
Bond Count [?]
All: | 25 |
Single: | 25 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 308.456 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.46 |
LogP (Chemaxon): | 2.42 |
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 |
---|