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Chemical ID: 4556603
Chemical ID:
4556603
Name [?]:
1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]ethanone
SMILES [?]:
CC1CC(=CCC1(C)C(=O)C)CCC=C(C)C
InChi [?]:
InChI=1/C16H26O/c1-12(2)7-6-8-15-9-10-16(5,14(4)17)13(3)11-15/h7,9,13H,6,8,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:16,17,1,11,8,13,14,12,5,6,3,15,2,9,4,7,10/E:(1,2)/rA:17cCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;s2s6;s7;s7;d9;s9;s4;s12;s13;d14;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.53545 |
Area: | 448.802 |
Solvation: | -1.68459 |
Coulombic: | -9.85676 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.12 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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