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Chemical ID: 4554827
Chemical ID:
4554827
Name [?]:
cyclododecene
SMILES [?]:
C1CCCCCC=CCCCC1
InChi [?]:
InChI=1/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2
InChi Info:
AuxInfo=1/0/N:7,8,6,9,5,10,4,11,3,12,2,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;w7;s8;s9;s10;s1s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05441 |
Area: | 329.634 |
Solvation: | -0.186441 |
Coulombic: | -4.0319 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 166.303 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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