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Chemical ID: 6428334
Chemical ID:
6428334
Name [?]:
None
SMILES [?]:
CC(=C1CCC2(C1)C3=C(CCC2=O)C(=O)CCC3)C
InChi [?]:
InChI=1/C17H22O2/c1-11(2)12-8-9-17(10-12)14-4-3-5-15(18)13(14)6-7-16(17)19/h3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,17,18,16,10,11,4,5,7,2,3,9,8,14,12,6,15,13/E:(1,2)/rA:19cCCCCCCCCCCCCOCOCCCC/rB:s1;d2;s3;s4;s5;s3s6;s6;d8;s9;s10;s6s11;d12;s9;d14;s14;s16;s8s17;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.16237 |
Area: | 434.438 |
Solvation: | -2.69857 |
Coulombic: | -15.2411 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 258.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.58 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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