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Chemical ID: 6326661
Chemical ID:
6326661
Name [?]:
2-ethyl-1-(1-piperidyl)hexan-1-one
SMILES [?]:
CCCCC(CC)C(=O)N1CCCCC1
InChi [?]:
InChI=1/C13H25NO/c1-3-5-9-12(4-2)13(15)14-10-7-6-8-11-14/h12H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,3,13,12,14,4,11,15,5,8,10,9/E:(7,8)(10,11)/rA:15cCCCCCCCCONCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.80402 |
Area: | 411.715 |
Solvation: | -1.48887 |
Coulombic: | -17.665 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 211.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.54 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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