Chemical ID: 4743480

CC1=CC(=O)C(=CC1=O)CCC2=CC(=O)C(=CC2=O)C
Chemical ID:
4743480
Name [?]:
2-methyl-5-[2-(4-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)ethyl]cyclohexa-2,5-diene-1,4-dione
SMILES [?]:
CC1=CC(=O)C(=CC1=O)CCC2=CC(=O)C(=CC2=O)C
InChi [?]:
InChI=1/C16H14O4/c1-9-5-15(19)11(7-13(9)17)3-4-12-8-14(18)10(2)6-16(12)20/h5-8H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,10,11,3,17,7,13,2,16,6,12,8,14,4,18,9,15,5,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCOCCCOCCCCCOCCCOC/rB:s1;d2;s3;d4;s4;d6;s2s7;d8;s6;s10;s11;d12;s13;d14;s14;d16;s12s17;d18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.76407
Area:466.765
Solvation:-4.90506
Coulombic:-30.5522
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.28
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.43
LogP (Chemaxon):1.64

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