Compound 11
  CheckMol                        TMF02:r0:m0
MF=C9H20O MW=144.26
 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
   -1.3042    0.7540   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6084    1.5080   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5706    2.0582   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0582   -0.5298   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.7744   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2167    1.5283   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5209    0.7947   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8251    1.5487   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1293    0.8151   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END

2D Structure

Di Methyl Heptanol

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Chemical Name - Di Methyl Heptanol
Mol Weight - 144.257
Smiles - CCCCCCC(C)(C)O

Property Name	Property Value
Mol Name	Di Methyl Heptanol
Molweight	144.257
Monoisotopic Mass	144.151415
Clogp	3.0624
Clogs	-2.314
H Acceptors	1
H Donors	1
Total Surface Area	135.84
Relative Psa	0.096437
Polar Surface Area	20.23
Druglikeness	-18.164
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.8
Molecular Flexibility	0.66614
Molecular Complexity	0.51986
Fragments	1
Non H Atoms	10
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	5
Sp3 Atoms	10
Symmetric Atoms	1
Smiles	CCCCCCC(C)(C)O
InChIKey	InChI=1S/C9H20O/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3
InChI	KBCNUEXDHWDIFX-UHFFFAOYSA-N

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1 — Di Methyl Heptanol | 2 — Di Methyl Heptanol