Chemical ID: 4681394

c1ccc(cc1)CC(=O)CCCCC(=O)Cc2ccccc2
Chemical ID:
4681394
Name [?]:
1,8-diphenyloctane-2,7-dione
SMILES [?]:
c1ccc(cc1)CC(=O)CCCCC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C20H22O2/c21-19(15-17-9-3-1-4-10-17)13-7-8-14-20(22)16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,11,12,3,5,18,22,10,13,7,16,4,17,8,14,9,15/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCCOCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.48587
Area:548.118
Solvation:-4.21708
Coulombic:-15.7965
Bond Count [?]
All:23
Single:15
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:294.387
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.59
LogP (Chemaxon):5.2

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Descriptor Annotations

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