Chemical ID: 4952797

CC1=CC(=O)CC(C1)C(C)C
Chemical ID:
4952797
Name [?]:
5-isopropyl-3-methyl-cyclohex-2-en-1-one
SMILES [?]:
CC1=CC(=O)CC(C1)C(C)C
InChi [?]:
InChI=1/C10H16O/c1-7(2)9-4-8(3)5-10(11)6-9/h5,7,9H,4,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:10,11,1,8,3,6,9,2,7,4,5/E:(1,2)/rA:11cCCCCOCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;s7;s9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.71211
Area:324.494
Solvation:-1.40025
Coulombic:-8.95529
Bond Count [?]
All:11
Single:9
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:152.233
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.42
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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