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Chemical ID: 6664384
Chemical ID:
6664384
Name [?]:
1-(3,3-dimethylnorbornan-2-yl)ethanone
SMILES [?]:
CC(=O)C1C2CCC(C2)C1(C)C
InChi [?]:
InChI=1/C11H18O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h8-10H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,12,6,7,9,2,5,8,4,10,3/E:(2,3)/rA:12cCCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s5s8;s4s8;s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.53178 |
Area: | 313.387 |
Solvation: | -1.30289 |
Coulombic: | -7.93401 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 166.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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