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Chemical ID: 4926513
Chemical ID:
4926513
Name [?]:
None
SMILES [?]:
CC1(C2CCC1C(=O)C3(C2)CCC(=O)C=C3)C
InChi [?]:
InChI=1/C15H20O2/c1-14(2)10-3-4-12(14)13(17)15(9-10)7-5-11(16)6-8-15/h5,7,10,12H,3-4,6,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,4,5,15,12,16,11,10,3,13,6,7,2,9,14,8/E:(1,2)/rA:17cCCCCCCCOCCCCCOCCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s7;s3s9;s9;s11;s12;d13;s13;s9d15;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.68093 |
Area: | 376.172 |
Solvation: | -2.72337 |
Coulombic: | -16.0722 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 232.318 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.75 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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