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Chemical ID: 4952797
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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