ChemDB: Chemical Search
Download
Chemical ID: 5032407
Chemical ID:
5032407
Name [?]:
disec-butyl nonanedioate
SMILES [?]:
CCC(C)OC(=O)CCCCCCCC(=O)OC(C)CC
InChi [?]:
InChI=1/C17H32O4/c1-5-14(3)20-16(18)12-10-8-7-9-11-13-17(19)21-15(4)6-2/h14-15H,5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,4,19,2,20,11,10,12,9,13,8,14,3,18,6,15,7,16,5,17/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)/rA:21cCCCCOCOCCCCCCCCOOCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H32O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.1366 |
Area: | 593.107 |
Solvation: | -2.69111 |
Coulombic: | -38.0501 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 300.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.12 |
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 |
---|