Chemical ID: 6507190

CC(=O)CC(=O)C(C)(C)C
Chemical ID:
6507190
Name [?]:
5,5-dimethylhexane-2,4-dione
SMILES [?]:
CC(=O)CC(=O)C(C)(C)C
InChi [?]:
InChI=1/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,9,10,4,2,5,7,3,6/E:(2,3,4)/rA:10nCCOCCOCCCC/rB:s1;d2;s2;s4;d5;s5;s7;s7;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:3.59922
Area:310.998
Solvation:-4.17574
Coulombic:-11.0027
Bond Count [?]
All:9
Single:7
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:142.196
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.98
LogP (Chemaxon):2.64

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Descriptor Annotations

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