Chemical ID: 6656815

C=CCC1C(=O)CCCC1=O
Chemical ID:
6656815
Name [?]:
2-allylcyclohexane-1,3-dione
SMILES [?]:
C=CCC1C(=O)CCCC1=O
InChi [?]:
InChI=1/C9H12O2/c1-2-4-7-8(10)5-3-6-9(7)11/h2,7H,1,3-6H2
InChi Info:
AuxInfo=1/0/N:1,2,8,3,7,9,4,5,10,6,11/E:(5,6)(8,9)(10,11)/rA:11nCCCCCOCCCCO/rB:d1;s2;s3;s4;d5;s5;s7;s8;s4s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.75329
Area:308.496
Solvation:-2.95911
Coulombic:-14.1243
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:152.19
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.45
LogP (Chemaxon):2.28

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Descriptor Annotations

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