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Chemical ID: 5107124
Chemical ID:
5107124
Name [?]:
octadecane-5,14-dione
SMILES [?]:
CCCCC(=O)CCCCCCCCC(=O)CCCC
InChi [?]:
InChI=1/C18H34O2/c1-3-5-13-17(19)15-11-9-7-8-10-12-16-18(20)14-6-4-2/h3-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,3,18,10,11,9,12,8,13,4,17,7,14,5,15,6,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCOCCCCCCCCCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H34O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9217 |
Area: | 599.571 |
Solvation: | -3.06759 |
Coulombic: | -15.9387 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 282.461 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.59 |
LogP (Chemaxon): | 5.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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