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Chemical ID: 6335898
Chemical ID:
6335898
Name [?]:
4-(3-methylbut-2-enoyl)cyclohexan-1-one
SMILES [?]:
CC(=CC(=O)C1CCC(=O)CC1)C
InChi [?]:
InChI=1/C11H16O2/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h7,9H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,7,12,8,11,3,2,6,9,4,10,5/E:(1,2)(3,4)(5,6)/rA:13nCCCCOCCCCOCCC/rB:s1;d2;s3;d4;s4;s6;s7;s8;d9;s9;s6s11;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.06737 |
Area: | 361.428 |
Solvation: | -2.96832 |
Coulombic: | -13.9577 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.86 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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