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Chemical ID: 4665676
Chemical ID:
4665676
Name [?]:
dodecyl-trimethyl-ammonium
SMILES [?]:
CCCCCCCCCCCC[N+](C)(C)C
InChi [?]:
InChI=1/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,14,15,16,2,3,4,5,6,7,8,9,10,11,12,13/E:(2,3,4)/CRV:16+1/rA:16nCCCCCCCCCCCCN+CCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H34N+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -16.1248 |
Area: | 502.976 |
Solvation: | -28.6992 |
Coulombic: | 20.8886 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 228.437 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.69 |
LogP (Chemaxon): | -0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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