ChemDB: Chemical Search
Download
Chemical ID: 4557013
Chemical ID:
4557013
Name [?]:
None
SMILES [?]:
CC1CCC2C(C3(C1(CCC3=O)O)C)OC(=O)C2=C
InChi [?]:
InChI=1/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3
InChi Info:
AuxInfo=1/0/N:1,19,14,3,4,10,9,2,18,5,11,6,16,7,8,12,17,13,15/rA:19cCCCCCCCCCCCOOCOCOCC/rB:s1;s2;s3;s4;s5;s6;s2s7;s8;s9;s7s10;d11;s8;s7;s6;s15;d16;s5s16;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 4.96702 |
Area: | 399.133 |
Solvation: | -5.01129 |
Coulombic: | -42.635 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 264.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.54 |
LogP (Chemaxon): | 2.04 |
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 |
---|