ChemDB: Chemical Search
Download
Chemical ID: 6633793
Chemical ID:
6633793
Name [?]:
None
SMILES [?]:
CC1C2CCC3(C(C2CC=C1OC(=O)C)CCC3OC(=O)c4ccccc4)C
InChi [?]:
InChI=1/C24H30O4/c1-15-18-13-14-24(3)20(19(18)9-11-21(15)27-16(2)25)10-12-22(24)28-23(26)17-7-5-4-6-8-17/h4-8,11,15,18-20,22H,9-10,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,28,25,24,26,23,27,9,16,10,17,4,5,2,13,22,3,8,7,11,18,20,6,14,21,12,19/E:(5,6)(7,8)/rA:28cCCCCCCCCCCCOCOCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;s2d10;s11;s12;d13;s13;s7;s16;s6s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 12.2765 |
Area: | 592.185 |
Solvation: | -2.52813 |
Coulombic: | -40.6064 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 382.493 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.02 |
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 |
---|