Compound 31
  CheckMol                        TMF02:r0:m0
MF=C15H24O2 MW=236.35
 17 16  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   -1.4846   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197   -2.2269   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2725   -2.2269   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6275   -1.4728   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5568   -1.4728   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2607   -3.7115   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9354   -2.2151   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8412   -2.2151   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2433   -1.4611   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5512   -2.2034   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2551    0.0471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8591   -1.4493   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1669   -2.1916   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4748   -1.4375   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4866    0.0707   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7827   -2.1798   -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  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END

2D Structure

Geranyl Tiglate

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Chemical Name - Geranyl Tiglate
Mol Weight - 236.354
Smiles - C/C=C(C)/C(OC/C=C(C)/CCC=C(C)C)=O

Property Name	Property Value
Mol Name	Geranyl Tiglate
Molweight	236.354
Monoisotopic Mass	236.17763
Clogp	5.2329
Clogs	-2.735
H Acceptors	2
Total Surface Area	217.96
Relative Psa	0.10571
Polar Surface Area	26.3
Druglikeness	-4.642
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.76471
Molecular Flexibility	0.65728
Molecular Complexity	0.48104
Fragments	1
Non H Atoms	17
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	7
Sp3 Atoms	9
Symmetric Atoms	1
Smiles	C/C=C(C)/C(OC/C=C(C)/CCC=C(C)C)=O
InChIKey	InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3
InChI	OGHBUHJLMHQMHS-UHFFFAOYSA-N

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1 — Geranyl Tiglate | 2 — Geranyl Tiglate