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Chemical ID: 4562302
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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