Chemical ID: 5107124

CCCCC(=O)CCCCCCCCC(=O)CCCC
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

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Descriptor Annotations

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