Compound 84
  CheckMol                        TMF02:r0:m0
MF=C8H18O3 MW=162.23
 11 10  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    0.7543   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2846    0.7543   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    2.2628   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164    0.0118   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200   -0.7307   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5693    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0289   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9246    0.7661   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5375   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2328    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END

2D Structure

Triethyl Ortho Acetate

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Chemical Name - Triethyl Ortho Acetate
Mol Weight - 162.228
Smiles - CCOC(C)(OCC)OCC

Property Name	Property Value
Mol Name	Triethyl Ortho Acetate
Molweight	162.228
Monoisotopic Mass	162.125595
Clogp	1.8608
Clogs	-1.262
H Acceptors	3
Total Surface Area	144.23
Relative Psa	0.208
Polar Surface Area	27.69
Druglikeness	-20.507
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.63636
Molecular Flexibility	0.57967
Molecular Complexity	0.43944
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	6
Sp3 Atoms	11
Symmetric Atoms	6
Smiles	CCOC(C)(OCC)OCC
InChIKey	InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
InChI	NDQXKKFRNOPRDW-UHFFFAOYSA-N

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1 — Triethyl Ortho Acetate | 2 — Triethyl Ortho Acetate