Chemical ID: 6473480

CCCCCCCCCCCCC1c2cc(cc(c2C(=O)O1)OC)OC
Chemical ID:
6473480
Name [?]:
3-dodecyl-5,7-dimethoxy-3H-isobenzofuran-1-one
SMILES [?]:
CCCCCCCCCCCCC1c2cc(cc(c2C(=O)O1)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H34O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.2819
Area:656.561
Solvation:-5.13207
Coulombic:-35.4324
Bond Count [?]
All:27
Single:23
Double:4
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:362.503
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.99
LogP (Chemaxon):5.66

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