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Chemical ID: 6398922
Chemical ID:
6398922
Name [?]:
1-(2,6-dimethyl-1-piperidyl)butan-1-one
SMILES [?]:
CCCC(=O)N1C(CCCC1C)C
InChi [?]:
InChI=1/C11H21NO/c1-4-6-11(13)12-9(2)7-5-8-10(12)3/h9-10H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,13,2,9,3,10,8,11,7,4,6,5/E:(2,3)(7,8)(9,10)/rA:13cCCCCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s11;s7;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.4645 |
Area: | 353.755 |
Solvation: | -1.37937 |
Coulombic: | -16.4034 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 183.291 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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