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Compound 40
  CheckMol                        TMF02:r0:m0
MF=C30H60O2 MW=452.80
 32 31  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4903   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3247   -2.2236   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2774   -2.2236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -1.4666   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666   -1.4666   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9504   -2.1999   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8558   -2.1999   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2633   -1.4430   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1450   -1.4430   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5761   -2.1763   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342   -2.1763   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8890   -1.4193   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7234   -1.4193   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2018   -2.1526   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0126   -2.1526   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5147   -1.3956   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3018   -1.3956   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8275   -2.1290   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5910   -2.1290   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1404   -1.3720   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8802   -1.3720   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4532   -2.1053   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1694   -2.1053   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7661   -1.3483   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4586   -1.3483   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0790   -2.0816   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7478   -2.0816   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3918   -1.3247   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7047   -2.0580   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0175   -1.3010   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3304   -2.0343   -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  1  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  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END

Cetyl Myristate

₹ 0.00 0.00

Chemical Name - Cetyl Myristate
Mol Weight - 452.804
Smiles - CCCCCCCCCCCCCCCCOC(CCCCCCCCCCCCC)=O

Property Name	Property Value
Mol Name	Cetyl Myristate
Molweight	452.804
Monoisotopic Mass	452.45933
Clogp	12.35
Clogs	-7.907
H Acceptors	2
Total Surface Area	437.29
Relative Psa	0.052688
Polar Surface Area	26.3
Druglikeness	-30.202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.96875
Molecular Flexibility	0.5518
Molecular Complexity	0.49057
Fragments	1
Non H Atoms	32
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	28
Sp3 Atoms	30
Smiles	CCCCCCCCCCCCCCCCOC(CCCCCCCCCCCCC)=O
InChIKey	InChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h3-29H2,1-2H3
InChI	QAKXLTNAJLFSQC-UHFFFAOYSA-N

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Cetyl Myristate