Chemical ID: 6822395

CC1CCC(C(C1)OCC[N+](C)(C)C)C(C)C
Chemical ID:
6822395
Name [?]:
2-(2-isopropyl-5-methyl-cyclohexoxy)ethyl-trimethyl-ammonium
SMILES [?]:
CC1CCC(C(C1)OCC[N+](C)(C)C)C(C)C
InChi [?]:
InChI=1/C15H32NO/c1-12(2)14-8-7-13(3)11-15(14)17-10-9-16(4,5)6/h12-15H,7-11H2,1-6H3/q+1
InChi Info:
AuxInfo=1/0/N:16,17,1,12,13,14,3,4,10,9,7,15,2,5,6,11,8/E:(1,2)(4,5,6)/CRV:16+1/rA:17cCCCCCCCOCCN+CCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s11;s11;s5;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H32NO+
All Atoms:49
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:-18.8452
Area:451.671
Solvation:-30.1369
Coulombic:15.6201
Bond Count [?]
All:17
Single:17
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.421
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.31
LogP (Chemaxon):-1.54

Name Annotations

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Descriptor Annotations

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