Chemical ID: 6542504

CCOC(=O)C[N+]1(CCOCC1)CC(COC2CC(CC(C2)(C)C)C)O
Chemical ID:
6542504
Name [?]:
ethyl 2-[4-[2-hydroxy-3-(3,3,5-trimethylcyclohexoxy)-propyl]-1-oxa-4-azoniacyclohex-4-yl]acetate
SMILES [?]:
CCOC(=O)C[N+]1(CCOCC1)CC(COC2CC(CC(C2)(C)C)C)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H38NO5+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:3
ZAP Information [?]
Total:-16.7136
Area:609.198
Solvation:-31.9435
Coulombic:-23.319
Bond Count [?]
All:27
Single:26
Double:1
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.519
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.1
LogP (Chemaxon):-2.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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