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Chemical ID: 4587599
Chemical ID:
4587599
Name [?]:
2-(2-methylpropylidene)cyclohexan-1-one
SMILES [?]:
CC(C)C=C1CCCCC1=O
InChi [?]:
InChI=1/C10H16O/c1-8(2)7-9-5-3-4-6-10(9)11/h7-8H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,8,6,9,4,2,5,10,11/E:(1,2)/rA:11nCCCCCCCCCCO/rB:s1;s2;s2;w4;s5;s6;s7;s8;s5s9;d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.76918 |
Area: | 329.849 |
Solvation: | -1.47705 |
Coulombic: | -9.10949 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 152.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.45 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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