Chemical ID: 4562302

CCC=CCC1=C(CCC1=O)C
Chemical ID:
4562302
Name [?]:
3-methyl-2-pent-2-enyl-cyclopent-2-en-1-one
SMILES [?]:
CCC=CCC1=C(CCC1=O)C
InChi [?]:
InChI=1/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,3,4,5,8,9,7,6,10,11/rA:12nCCCCCCCCCCOC/rB:s1;s2;w3;s4;s5;d6;s7;s8;s6s9;d10;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.17662
Area:351.858
Solvation:-1.61981
Coulombic:-9.38825
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:164.244
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.25
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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