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Chemical ID: 5180425
Chemical ID:
5180425
Name [?]:
8-methoxy-4,4-dimethyl-4-azoniabicyclo[3.2.1]octane
SMILES [?]:
C[N+]1(CCC2CCC1C2OC)C
InChi [?]:
InChI=1/C10H20NO/c1-11(2)7-6-8-4-5-9(11)10(8)12-3/h8-10H,4-7H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,12,11,6,7,4,3,5,8,9,2,10/E:(1,2)/CRV:11+1/rA:12cCN+CCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s2s7;s5s8;s9;s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20NO+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -18.1534 |
Area: | 316.673 |
Solvation: | -26.0702 |
Coulombic: | 12.4833 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -0.44 |
LogP (Chemaxon): | -3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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