Chemical ID: 5138236

CC(=C)C1CCC2(CCC(=O)C=C2C1)C
Chemical ID:
5138236
Name [?]:
7-isopropenyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
SMILES [?]:
CC(=C)C1CCC2(CCC(=O)C=C2C1)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H20O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.86251
Area:376.502
Solvation:-1.55005
Coulombic:-10.0529
Bond Count [?]
All:16
Single:13
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.308
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.21
LogP (Chemaxon):3.48

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