Chemical ID: 6675962

C1CCC(=O)C(C1)C(=O)CCCCCCC(=O)C2CCCCC2=O
Chemical ID:
6675962
Name [?]:
1,8-bis(2-oxocyclohexyl)octane-1,8-dione
SMILES [?]:
C1CCC(=O)C(C1)C(=O)CCCCCCC(=O)C2CCCCC2=O
InChi [?]:
InChI=1/C20H30O4/c21-17(15-9-5-7-13-19(15)23)11-3-1-2-4-12-18(22)16-10-6-8-14-20(16)24/h15-16H,1-14H2
InChi Info:
AuxInfo=1/0/N:12,13,11,14,1,20,2,21,7,19,10,15,3,22,6,18,8,16,4,23,9,17,5,24/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24cCCCCOCCCOCCCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s4;s1s6;s6;d8;s8;s10;s11;s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s18s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:8.86559
Area:587.748
Solvation:-5.82812
Coulombic:-27.1182
Bond Count [?]
All:25
Single:21
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:334.45
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.0
LogP (Chemaxon):5.28

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Descriptor Annotations

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