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Chemical ID: 6683634
Chemical ID:
6683634
Name [?]:
5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one
SMILES [?]:
CC1C2CC2(CC1=O)C(C)C
InChi [?]:
InChI=1/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:10,11,1,4,6,9,2,3,7,5,8/E:(1,2)/rA:11cCCCCCCCOCCC/rB:s1;s2;s3;s3s4;s5;s2s6;d7;s5;s9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.42392 |
Area: | 317.423 |
Solvation: | -1.51166 |
Coulombic: | -7.96196 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 152.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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