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Chemical ID: 4625511
Chemical ID:
4625511
Name [?]:
4-tert-butylcyclohexan-1-one
SMILES [?]:
CC(C)(C)C1CCC(=O)CC1
InChi [?]:
InChI=1/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,6,11,7,10,5,8,2,9/E:(1,2,3)(4,5)(6,7)/rA:11nCCCCCCCCOCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s8;s5s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.45 |
Area: | 318.918 |
Solvation: | -1.52296 |
Coulombic: | -8.02112 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 154.249 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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