Chem Tri Ethyl Ortho Formate Rekhc

Compound 40
  CheckMol                        TMF02:r0:m0
MF=C7H16O3 MW=148.20
 10  9  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073    0.7538   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2838    0.7538   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3191    2.2613   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6147    0.0118   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5676    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0151   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9220    0.7656   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5227   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2293    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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END

Tri Ethyl Ortho Formate

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Chemical Name - Tri Ethyl Ortho Formate
Mol Weight - 148.201
Smiles - CCOC(OCC)OCC

Property Name	Property Value
Mol Name	Tri Ethyl Ortho Formate
Molweight	148.201
Monoisotopic Mass	148.109945
Clogp	0.984
Clogs	-0.901
H Acceptors	3
Total Surface Area	134.06
Relative Psa	0.22378
Polar Surface Area	27.69
Druglikeness	-14.638
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.7
Molecular Flexibility	0.77766
Molecular Complexity	0.40236
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	6
Sp3 Atoms	10
Symmetric Atoms	6
Smiles	CCOC(OCC)OCC
InChIKey	InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3
InChI	GKASDNZWUGIAMG-UHFFFAOYSA-N

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Tri Ethyl Ortho Formate