Chemical ID: 4960709

CCC(C)c1ccc(cc1)OCC(C)OC(=O)CC
Chemical ID:
4960709
Name [?]:
[1-methyl-2-(4-sec-butylphenoxy)-ethyl] propanoate
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(C)OC(=O)CC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H24O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:9.36292
Area:500.326
Solvation:-3.14523
Coulombic:-27.4576
Bond Count [?]
All:19
Single:15
Double:4
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:264.36
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.65
LogP (Chemaxon):4.11

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