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Chemical ID: 5181995
Chemical ID:
5181995
Name [?]:
trimethyl-(8-trimethylammoniooctyl)ammonium
SMILES [?]:
C[N+](C)(C)CCCCCCCC[N+](C)(C)C
InChi [?]:
InChI=1/C14H34N2/c1-15(2,3)13-11-9-7-8-10-12-14-16(4,5)6/h7-14H2,1-6H3/q+2
InChi Info:
AuxInfo=1/0/N:1,3,4,14,15,16,8,9,7,10,6,11,5,12,2,13/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:15+1,16+1/rA:16nCN+CCCCCCCCCCN+CCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H34N2+2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -59.7995 |
Area: | 480.079 |
Solvation: | -71.8015 |
Coulombic: | 61.986 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 230.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -0.06 |
LogP (Chemaxon): | -6.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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