Chemical ID: 6668368

CC(CC(C)C(=O)O)C(=O)C
Chemical ID:
6668368
Name [?]:
2,4-dimethyl-5-oxo-hexanoic acid
SMILES [?]:
CC(CC(C)C(=O)O)C(=O)C
InChi [?]:
InChI=1/C8H14O3/c1-5(7(3)9)4-6(2)8(10)11/h5-6H,4H2,1-3H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,11,3,2,4,9,6,10,7,8/E:(10,11)/rA:11cCCCCCCOOCOC/rB:s1;s2;s3;s4;s4;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:2
ZAP Information [?]
Total:5.53121
Area:333.285
Solvation:-2.80093
Coulombic:-32.5155
Bond Count [?]
All:10
Single:8
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:158.195
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.5
LogP (Chemaxon):1.69

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