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Chemical ID: 5176689
Chemical ID:
5176689
Name [?]:
4,5-dimethyl-5-tert-butyl-oxazolidin-2-one
SMILES [?]:
CC1C(OC(=O)N1)(C)C(C)(C)C
InChi [?]:
InChI=1/C9H17NO2/c1-6-9(5,8(2,3)4)12-7(11)10-6/h6H,1-5H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,10,11,12,8,2,5,9,3,7,6,4/E:(2,3,4)/rA:12cCCCOCONCCCCC/rB:s1;s2;s3;s4;d5;s2s5;s3;s3;s9;s9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.07996 |
Area: | 315.612 |
Solvation: | -1.81034 |
Coulombic: | -34.3783 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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