ChemDB: Chemical Search
Download
Chemical ID: 6663199
Chemical ID:
6663199
Name [?]:
diisopropyl hexanedioate
SMILES [?]:
CC(C)OC(=O)CCCCC(=O)OC(C)C
InChi [?]:
InChI=1/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,8,9,7,10,2,14,5,11,6,12,4,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCOCOCCCCCOOCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s11;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02366 |
Area: | 468.456 |
Solvation: | -2.68773 |
Coulombic: | -36.2995 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 230.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.41 |
LogP (Chemaxon): | 1.99 |
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 |
---|