Compound 52
  CheckMol                        TMF02:r0:m0
MF=C8H16O2 MW=144.21
 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
   -0.0119   -1.4968   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3305   -2.2452   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2830   -2.2452   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778   -1.4849   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -2.2333   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1675   -1.4730   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4624   -2.2214   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7572   -1.4612   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0521   -2.2096   -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
  4  5  1  0  0  0  0
  5  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

Caprylic Acid

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Chemical Name - Caprylic Acid
Mol Weight - 144.213
Smiles - CCCCCCCC(O)=O

Property Name	Property Value
Mol Name	Caprylic Acid
Molweight	144.213
Monoisotopic Mass	144.11503
Clogp	2.4273
Clogs	-2.079
H Acceptors	2
H Donors	1
Total Surface Area	132.42
Relative Psa	0.1974
Polar Surface Area	37.3
Druglikeness	-25.323
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.9
Molecular Flexibility	0.57635
Molecular Complexity	0.48648
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	6
Sp3 Atoms	8
Acidic Oxygens	1
Smiles	CCCCCCCC(O)=O
InChIKey
InChI	C8H16O2

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1 — Caprylic Acid | 2 — Caprylic Acid