Chemical ID: 6505607

CCOC(=O)CCC1CCCC(C1)[NH3+]
Chemical ID:
6505607
Name [?]:
[3-(2-ethoxycarbonylethyl)cyclohexyl]ammonium
SMILES [?]:
CCOC(=O)CCC1CCCC(C1)[NH3+]
InChi [?]:
InChI=1/C11H21NO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h9-10H,2-8,12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,10,9,11,7,6,13,8,12,4,14,5,3/rA:14cCCOCOCCCCCCCCN+/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s8s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H22NO2+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:-29.9396
Area:401.278
Solvation:-39.9716
Coulombic:23.5454
Bond Count [?]
All:14
Single:13
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:200.298
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.78
LogP (Chemaxon):1.24

Name Annotations

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Descriptor Annotations

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