Compound 23
  CheckMol                        TMF02:r0:m0
MF=C12H24O MW=184.32
 13 12  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3046   -0.7287   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6092    0.0235   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138   -0.7052   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6210    1.5279   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2184    0.0470   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5230   -0.6817   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8276    0.0705   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1322   -0.6582   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4368    0.0940   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7414   -0.6347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0461    0.1175   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3507   -0.6112   -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
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END

2D Structure

2-Methyl Undecanal

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Chemical Name - 2-Methyl Undecanal
Mol Weight - 184.322
Smiles - CCCCCCCCCC(C)C=O

Property Name	Property Value
Mol Name	2-Methyl Undecanal
Molweight	184.322
Monoisotopic Mass	184.182715
Clogp	4.1461
Clogs	-3.282
H Acceptors	1
Total Surface Area	180.14
Relative Psa	0.072388
Polar Surface Area	17.07
Druglikeness	-23.643
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.92308
Molecular Flexibility	0.56288
Molecular Complexity	0.3662
Fragments	1
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Stereo Centers	1
Rotatable Bonds	9
Sp3 Atoms	11
Smiles	CCCCCCCCCC(C)C=O
InChIKey	InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3
InChI	NFAVNWJJYQAGNB-UHFFFAOYSA-N

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1 — 2-Methyl Undecanal | 2 — 2-Methyl Undecanal