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Chemical ID: 5059078
Chemical ID:
5059078
Name [?]:
1-(2-ethyl-3,4,5,6-tetramethyl-phenyl)ethanone
SMILES [?]:
CCc1c(c(c(c(c1C(=O)C)C)C)C)C
InChi [?]:
InChI=1/C14H20O/c1-7-13-10(4)8(2)9(3)11(5)14(13)12(6)15/h7H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,11,2,5,6,4,7,9,3,8,10/rA:15nCCCCCCCCCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s7;s6;s5;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.87153 |
Area: | 382.649 |
Solvation: | -1.69468 |
Coulombic: | -8.25602 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 204.308 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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