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Chemical ID: 3966258
Chemical ID:
3966258
Name [?]:
trimethyl-(10-trimethylammoniodecyl)ammonium
SMILES [?]:
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
InChi [?]:
InChI=1/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
InChi Info:
AuxInfo=1/0/N:1,3,4,16,17,18,9,10,8,11,7,12,6,13,5,14,2,15/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:17+1,18+1/rA:18nCN+CCCCCCCCCCCCN+CCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H38N2+2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -55.8164 |
Area: | 533.289 |
Solvation: | -69.1487 |
Coulombic: | 58.6275 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 258.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.08 |
LogP (Chemaxon): | -6.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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