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Chemical ID: 6335858
Chemical ID:
6335858
Name [?]:
2-(1-cyclohexenyl)cyclohexan-1-one
SMILES [?]:
C1CCC(=CC1)C2CCCCC2=O
InChi [?]:
InChI=1/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2
InChi Info:
AuxInfo=1/0/N:1,6,2,9,10,5,3,8,11,4,7,12,13/rA:13cCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s1s5;s4;s7;s8;s9;s10;s7s11;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.90714 |
Area: | 341.981 |
Solvation: | -1.64239 |
Coulombic: | -8.57275 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 178.271 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.7 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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