Chemical ID: 5125567

CC1CC(=O)CC1C(C)C
Chemical ID:
5125567
Name [?]:
3-isopropyl-4-methyl-cyclopentan-1-one
SMILES [?]:
CC1CC(=O)CC1C(C)C
InChi [?]:
InChI=1/C9H16O/c1-6(2)9-5-8(10)4-7(9)3/h6-7,9H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:9,10,1,3,6,8,2,4,7,5/E:(1,2)/rA:10cCCCCOCCCCC/rB:s1;s2;s3;d4;s4;s2s6;s7;s8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:2
ZAP Information [?]
Total:5.93462
Area:300.671
Solvation:-1.58216
Coulombic:-7.81175
Bond Count [?]
All:10
Single:9
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:140.223
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.44
LogP (Chemaxon):2.52

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