Chemical ID: 6530446

CCCCCCOCC[N+](C)(CCOCCCCCC)CCOCCCCCC
Chemical ID:
6530446
Name [?]:
tris(2-hexoxyethyl)-methyl-ammonium
SMILES [?]:
CCCCCCOCC[N+](C)(CCOCCCCCC)CCOCCCCCC
InChi [?]:
InChI=1/C25H54NO3/c1-5-8-11-14-20-27-23-17-26(4,18-24-28-21-15-12-9-6-2)19-25-29-22-16-13-10-7-3/h5-25H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,20,29,11,2,19,28,3,18,27,4,17,26,5,16,25,9,12,21,6,15,24,8,13,22,10,7,14,23/E:(1,2,3)(5,6,7)(8,9,10)(11,12,13)(14,15,16)(17,18,19)(20,21,22)(23,24,25)(27,28,29)/CRV:26+1/rA:29nCCCCCCOCCN+CCCOCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s10;s12;s13;s14;s15;s16;s17;s18;s19;s10;s21;s22;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H54NO3+
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:-7.12572
Area:791.814
Solvation:-26.9211
Coulombic:-8.22628
Bond Count [?]
All:28
Single:28
Double:0
Rotors:24
Chiral:0
Rigid Segments:13
Chemical Properties
Molecular Weight:416.701
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.68
LogP (Chemaxon):1.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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