Chemical ID: 6047403

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
Chemical ID:
6047403
Name [?]:
[8-[2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
SMILES [?]:
CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H38O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:7
ZAP Information [?]
Total:10.8724
Area:618.461
Solvation:-4.5891
Coulombic:-55.8101
Bond Count [?]
All:32
Single:28
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:418.566
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.74
LogP (Chemaxon):4.43

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