Compound 3
  CheckMol                        TMF02:r0:m0
MF=C34H66O3 MW=522.89
 37 36  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4918   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3260   -2.2259   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2787   -2.2259   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6403   -1.4681   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692   -1.4681   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9545   -2.2022   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598   -2.2022   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2687   -1.4444   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1503   -1.4444   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5829   -2.1785   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408   -2.1785   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8971   -1.4208   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313   -1.4208   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2113   -2.1548   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0219   -2.1548   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5255   -1.3971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3124   -1.3971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8397   -2.1312   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6029   -2.1312   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1539   -1.3734   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5911   -3.6230   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4681   -2.1075   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8816   -4.3689   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7824   -1.3497   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1722   -3.6111   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8698   -5.8607   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0966   -2.0838   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1603   -6.5947   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4108   -1.3260   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1485   -8.0865   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7250   -2.0601   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4390   -8.8206   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0392   -1.3024   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4272  -10.3124   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3534   -2.0364   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7177  -11.0583   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  6  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END

2D Structure

Cetyl Ricinoleate

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Chemical Name - Cetyl Ricinoleate
Mol Weight - 522.895
Smiles - CCCCCCCCCCCCCCCCOC(CCCCCCC/C=CC[C@@H](CCCCCC)O)=O

Property Name	Property Value
Mol Name	Cetyl Ricinoleate
Molweight	522.895
Monoisotopic Mass	522.501195
Clogp	12.893
Clogs	-8.36
H Acceptors	3
H Donors	1
Total Surface Area	496.4
Relative Psa	0.072804
Polar Surface Area	46.53
Druglikeness	-33.779
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.94595
Molecular Flexibility	0.5978
Molecular Complexity	0.53395
Fragments	1
Non H Atoms	37
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	31
Sp3 Atoms	33
Smiles	CCCCCCCCCCCCCCCCOC(CCCCCCC/C=CC[C@@H](CCCCCC)O)=O
InChIKey
InChI	C34H66O3

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1 — Cetyl Ricinoleate | 2 — Cetyl Ricinoleate