Chemical ID: 5112945

CC1(CC(C(=O)C1)C23COC(=O)C(=C2C=C3)CO)C
Chemical ID:
5112945
Name [?]:
1-(4,4-dimethyl-2-oxo-cyclopentyl)-5-(hydroxymethyl)-3-oxabicyclo[4.2.0]octa-5,7-dien-4-one
SMILES [?]:
CC1(CC(C(=O)C1)C23COC(=O)C(=C2C=C3)CO)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H18O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:6.18386
Area:420.682
Solvation:-4.33319
Coulombic:-42.7981
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.301
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.85
LogP (Chemaxon):1.22

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