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Chemical ID: 5084503
Chemical ID:
5084503
Name [?]:
hexyl 2-pentylpiperidine-1-carboxylate
SMILES [?]:
CCCCCCOC(=O)N1CCCCC1CCCCC
InChi [?]:
InChI=1/C17H33NO2/c1-3-5-7-11-15-20-17(19)18-14-10-9-13-16(18)12-8-6-4-2/h16H,3-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,3,18,4,17,13,12,5,16,14,11,6,15,8,10,9,7/rA:20cCCCCCCOCONCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;s16;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H33NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4791 |
Area: | 546.949 |
Solvation: | -1.19465 |
Coulombic: | -32.4893 |
Bond Count [?]
All: | 20 |
Single: | 19 |
Double: | 1 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 283.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.9 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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