Chem Di Tert Butyldicarbonate Molychem

Compound 316
  CheckMol                        TMF02:r0:m0
MF=C10H18O5 MW=218.25
 15 14  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    1.5114   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3225    2.2672   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2753    2.2672   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6332    1.5233   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624    1.5233   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450    0.0354   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9439    2.2790   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3063    2.8340   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8495    0.7793   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067    0.2362   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2546    1.5351   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5225    0.2480   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5654    0.8030   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0104    2.8458   -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  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END

Di-Tert-Butyldicarbonate

₹ 0.00 0.00

Chemical Name - Di-Tert-Butyldicarbonate
Mol Weight - 218.248
Smiles - CC(C)(C)OC(OC(OC(C)(C)C)=O)=O

Property Name	Property Value
Mol Name	Di-Tert-Butyldicarbonate
Molweight	218.248
Monoisotopic Mass	218.115425
Clogp	2.8843
Clogs	-3.073
H Acceptors	5
Total Surface Area	173.38
Relative Psa	0.32345
Polar Surface Area	61.83
Druglikeness	-37.558
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.6
Molecular Flexibility	0.40345
Molecular Complexity	0.41291
Fragments	1
Non H Atoms	15
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	6
Sp3 Atoms	11
Symmetric Atoms	9
Smiles	CC(C)(C)OC(OC(OC(C)(C)C)=O)=O
InChIKey	InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3
InChI	DYHSDKLCOJIUFX-UHFFFAOYSA-N

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Di-Tert-Butyldicarbonate