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Chemical ID: 4621350
Chemical ID:
4621350
Name [?]:
4,4,6-trimethyl-2-vinyl-5,6-dihydro-1,3-oxazine
SMILES [?]:
CC1CC(N=C(O1)C=C)(C)C
InChi [?]:
InChI=1/C9H15NO/c1-5-8-10-9(3,4)6-7(2)11-8/h5,7H,1,6H2,2-4H3
InChi Info:
AuxInfo=1/0/N:9,1,10,11,8,3,2,6,4,5,7/E:(3,4)/rA:11cCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s2s6;s6;d8;s4;s4;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15NO |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.50228 |
Area: | 323.57 |
Solvation: | -1.58698 |
Coulombic: | -15.6855 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 153.222 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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