Compound 83
  CheckMol                        TMF02:r0:m0
MF=C13H24O3 MW=228.33
 16 16  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2882   -0.7445   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -2.2336   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9781   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    1.5245   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8645   -0.7327   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4672   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3472   -2.2099   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409   -5.2117   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3591   -5.1999   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6590   -2.9427   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -6.7008   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5290   -4.4553   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -4.4435   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   -2.1745   -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
  4  7  1  0  0  0  0
  5  8  1  0  1  0  0
  5  9  1  0  1  0  0
  8 10  1  0  0  0  0
  8 11  1  0  1  0  0
  9 12  1  0  1  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  1  0  0
 12 16  1  0  0  0  0
 12 15  1  0  1  0  0
M  END

2D Structure

Menthyl Lactate

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Chemical Name - Menthyl Lactate
Mol Weight - 228.331
Smiles - CC(C)C(CCC(C)C1)C1OC(C(C)O)=O

Property Name	Property Value
Mol Name	Menthyl Lactate
Molweight	228.331
Monoisotopic Mass	228.172545
Clogp	2.3284
Clogs	-2.782
H Acceptors	3
H Donors	1
Total Surface Area	186.92
Relative Psa	0.19334
Polar Surface Area	46.53
Druglikeness	-24.471
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.46217
Molecular Complexity	0.61678
Fragments	1
Non H Atoms	16
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	4
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Sp3 Atoms	14
Symmetric Atoms	1
Smiles	CC(C)C(CCC(C)C1)C1OC(C(C)O)=O
InChIKey	InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3
InChI	UJNOLBSYLSYIBM-UHFFFAOYSA-N

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