Chemical ID: 4958804

CC(C)C1CC=C(C1)C(=O)C
Chemical ID:
4958804
Name [?]:
1-(4-isopropyl-1-cyclopentenyl)ethanone
SMILES [?]:
CC(C)C1CC=C(C1)C(=O)C
InChi [?]:
InChI=1/C10H16O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,7,9H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,11,5,6,8,2,9,4,7,10/E:(1,2)/rA:11cCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s4s7;s7;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.69701
Area:330.024
Solvation:-1.5536
Coulombic:-8.71583
Bond Count [?]
All:11
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:152.233
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.71
LogP (Chemaxon):2.71

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