Chemical ID: 3967221

CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCc2ccccc2)O)O)O
Chemical ID:
3967221
Name [?]:
isopropyl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenyl-pentyl)-cyclopentyl]hept-5-enoate
SMILES [?]:
CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCc2ccccc2)O)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H40O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:5
ZAP Information [?]
Total:13.4326
Area:759.941
Solvation:-5.56596
Coulombic:-71.8156
Bond Count [?]
All:32
Single:27
Double:5
Rotors:14
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:432.593
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.4
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