Chemical ID: 5131091

CC(=O)CCCCCCCCCCCCCC(=O)C
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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