Chemical ID: 6686974

COC(=O)CCCCCCCCCBr
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue