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Chemical ID: 5015197
Chemical ID:
5015197
Name [?]:
1-cyclohex-3-enylmethyl cyclohex-3-ene-1-carboxylate
SMILES [?]:
C1CC(CC=C1)COC(=O)C2CCC=CC2
InChi [?]:
InChI=1/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2
InChi Info:
AuxInfo=1/0/N:6,14,5,1,15,13,4,2,16,12,7,3,11,9,10,8/rA:16cCCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s1d5;s3;s7;s8;d9;s9;s11;s12;s13;d14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.04716 |
Area: | 418.056 |
Solvation: | -1.40422 |
Coulombic: | -21.7073 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 220.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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