Chemical ID: 4559075

CC(=C)C1CC(C(=O)C1)C(=O)C
Chemical ID:
4559075
Name [?]:
2-acetyl-4-isopropenyl-cyclopentan-1-one
SMILES [?]:
CC(=C)C1CC(C(=O)C1)C(=O)C
InChi [?]:
InChI=1/C10H14O2/c1-6(2)8-4-9(7(3)11)10(12)5-8/h8-9H,1,4-5H2,2-3H3
InChi Info:
AuxInfo=1/0/N:3,1,12,5,9,2,10,4,6,7,11,8/rA:12cCCCCCCCOCCOC/rB:s1;d2;s2;s4;s5;s6;d7;s4s7;s6;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:5.57974
Area:341.027
Solvation:-2.94593
Coulombic:-13.8968
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.217
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.55
LogP (Chemaxon):2.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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