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Chemical ID: 5131091
Chemical ID:
5131091
Name [?]:
heptadecane-2,16-dione
SMILES [?]:
CC(=O)CCCCCCCCCCCCCC(=O)C
InChi [?]:
InChI=1/C17H32O2/c1-16(18)14-12-10-8-6-4-3-5-7-9-11-13-15-17(2)19/h3-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,10,9,11,8,12,7,13,6,14,5,15,4,16,2,17,3,18/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:19nCCOCCCCCCCCCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H32O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2551 |
Area: | 579.903 |
Solvation: | -3.24244 |
Coulombic: | -15.0501 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 268.435 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.66 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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