Chemical ID: 6686773

CCCC[N+](CCCC)(CCCC)CCCCCC[N+](CCCC)(CCCC)CCCC
Chemical ID:
6686773
Name [?]:
tributyl-(6-tributylammoniohexyl)ammonium
SMILES [?]:
CCCC[N+](CCCC)(CCCC)CCCCCC[N+](CCCC)(CCCC)CCCC
InChi [?]:
InChI=1/C30H66N2/c1-7-13-23-31(24-14-8-2,25-15-9-3)29-21-19-20-22-30-32(26-16-10-4,27-17-11-5)28-18-12-6/h7-30H2,1-6H3/q+2
InChi Info:
AuxInfo=1/0/N:1,9,13,24,28,32,2,8,12,23,27,31,3,7,11,22,26,30,16,17,15,18,4,6,10,21,25,29,14,19,5,20/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(19,20)(21,22)(23,24,25,26,27,28)(29,30)(31,32)/CRV:31+1,32+1/rA:32nCCCCN+CCCCCCCCCCCCCCN+CCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s5;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s20;s25;s26;s27;s20;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H66N2+2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:-48.1684
Area:859.614
Solvation:-69.6587
Coulombic:59.3005
Bond Count [?]
All:31
Single:31
Double:0
Rotors:25
Chiral:0
Rigid Segments:16
Chemical Properties
Molecular Weight:454.859
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.9
LogP (Chemaxon):-0.47

Name Annotations

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Descriptor Annotations

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