Compound 32
  CheckMol                        TMF02:r0:m0
MF=C8H20O2 MW=148.24
 10  8  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    1.3221   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -1.2748   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4637    2.6323   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0825    1.1332   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5715    1.1450   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161   -0.1416   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161    2.4553   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5597   -1.4283   -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
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END

2D Structure

(2-Butanol) (Butan-2-ol)

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Chemical Name - (2-Butanol) (Butan-2-ol)
Mol Weight - 74.1224
Smiles - CCC(C)O.CCC(C)O

Property Name	Property Value
Mol Name	(2-Butanol) (Butan-2-ol)
Molweight	74.1224
Monoisotopic Mass	74.073165
Clogp	0.8642
Clogs	-1.125
H Acceptors	1
H Donors	1
Total Surface Area	70.63
Relative Psa	0.18547
Polar Surface Area	20.23
Druglikeness	-3.2308
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.8
Molecular Flexibility	0.65063
Molecular Complexity	0.54931
Fragments	2
Non H Atoms	5
Non Ch Atoms	1
Electronegative Atoms	1
Stereo Centers	1
Rotatable Bonds	1
Sp3 Atoms	5
Smiles	CCC(C)O.CCC(C)O
InChIKey	InChI=1S/2C4H10O/c21-3-4(2)5/h24-5H,3H2,1-2H3
InChI	GKMQWTVAAMITHR-UHFFFAOYSA-N

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1 — (2-Butanol) (Butan-2-ol) | 2 — (2-Butanol) (Butan-2-ol)