ChemDB: Chemical Search
Download
Chemical ID: 6686974
Chemical ID:
6686974
Name [?]:
methyl 10-bromodecanoate
SMILES [?]:
COC(=O)CCCCCCCCCBr
InChi [?]:
InChI=1/C11H21BrO2/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,7,11,6,12,5,13,3,14,4,2/rA:14nCOCOCCCCCCCCCBr/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21BrO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60511 |
Area: | 458.087 |
Solvation: | -1.84708 |
Coulombic: | -19.7846 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 265.187 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.52 |
LogP (Chemaxon): | 3.33 |
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 |
---|