Chem Pentaerythritol Mono Ricinoleate

Compound 4
  CheckMol                        TMF02:r0:m0
MF=C23H44O6 MW=416.60
 29 28  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4977   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -2.2347   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2838   -2.2347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6507   -1.4740   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794   -1.4740   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9702   -2.2109   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -2.2109   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9821   -3.7087   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6745   -2.9479   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2896   -1.4502   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1707   -1.4502   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3015   -4.4456   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864   -4.4456   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6090   -2.1872   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4664   -2.1872   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7621   -1.4264   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0577   -2.1634   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3534   -1.4026   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6490   -2.1396   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6371   -3.6373   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9328   -4.3743   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2284   -3.6136   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9209   -5.8721   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2166   -6.6090   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2047   -8.1068   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5003   -8.8437   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4884  -10.3415   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7841  -11.0903   -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
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END

Pentaerythritol Mono Ricinoleate

₹ 0.00 0.00

Chemical Name - Pentaerythritol Mono Ricinoleate
Mol Weight - 416.596
Smiles - CCCCCC[C@H](C/C=CCCCCCCCC(OCC(CO)(CO)CO)=O)O

Property Name	Property Value
Mol Name	Pentaerythritol Mono Ricinoleate
Molweight	416.596
Monoisotopic Mass	416.31379
Clogp	4.9899
Clogs	-3.666
H Acceptors	6
H Donors	4
Total Surface Area	362.24
Relative Psa	0.20826
Polar Surface Area	107.22
Druglikeness	-30.356
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.7931
Molecular Flexibility	0.65549
Molecular Complexity	0.52337
Fragments	1
Non H Atoms	29
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	1
Rotatable Bonds	21
Sp3 Atoms	25
Symmetric Atoms	4
Smiles	CCCCCC[C@H](C/C=CCCCCCCCC(OCC(CO)(CO)CO)=O)O
InChIKey
InChI	C23H44O6

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Pentaerythritol Mono Ricinoleate