Chemical ID: 6499296

CC1(C(=O)CCC1=O)CC#C
Chemical ID:
6499296
Name [?]:
2-methyl-2-prop-2-ynyl-cyclopentane-1,3-dione
SMILES [?]:
CC1(C(=O)CCC1=O)CC#C
InChi [?]:
InChI=1/C9H10O2/c1-3-6-9(2)7(10)4-5-8(9)11/h1H,4-6H2,2H3
InChi Info:
AuxInfo=1/0/N:11,1,10,5,6,9,3,7,2,4,8/E:(4,5)(7,8)(10,11)/rA:11nCCCOCCCOCCC/rB:s1;s2;d3;s3;s5;s2s6;d7;s2;s9;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.53955
Area:308.146
Solvation:-3.16409
Coulombic:-14.2895
Bond Count [?]
All:11
Single:8
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:150.174
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.03
LogP (Chemaxon):2.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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