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Chemical ID: 7511622
Chemical ID:
7511622
Name [?]:
[1,3-dimethyl-3-(1-piperidyl)butyl] 2,2-dimethylpropanoate
SMILES [?]:
CC(CC(C)(C)N1CCCCC1)OC(=O)C(C)(C)C
InChi [?]:
InChI=1/C16H31NO2/c1-13(19-14(18)15(2,3)4)12-16(5,6)17-10-8-7-9-11-17/h13H,7-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,5,6,10,9,11,8,12,3,2,14,16,4,7,15,13/E:(2,3,4)(5,6)(8,9)(10,11)/rA:19cCCCCCCNCCCCCOCOCCCC/rB:s1;s2;s3;s4;s4;s4;s7;s8;s9;s10;s7s11;s2;s13;d14;s14;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H31NO2 |
All Atoms: | 50 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.89351 |
Area: | 463.722 |
Solvation: | -1.69953 |
Coulombic: | -24.9287 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.4 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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