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Chemical ID: 6822395
Chemical ID:
6822395
Name [?]:
2-(2-isopropyl-5-methyl-cyclohexoxy)ethyl-trimethyl-ammonium
SMILES [?]:
CC1CCC(C(C1)OCC[N+](C)(C)C)C(C)C
InChi [?]:
InChI=1/C15H32NO/c1-12(2)14-8-7-13(3)11-15(14)17-10-9-16(4,5)6/h12-15H,7-11H2,1-6H3/q+1
InChi Info:
AuxInfo=1/0/N:16,17,1,12,13,14,3,4,10,9,7,15,2,5,6,11,8/E:(1,2)(4,5,6)/CRV:16+1/rA:17cCCCCCCCOCCN+CCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s11;s11;s5;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H32NO+ |
All Atoms: | 49 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -18.8452 |
Area: | 451.671 |
Solvation: | -30.1369 |
Coulombic: | 15.6201 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.31 |
LogP (Chemaxon): | -1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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