Monomers

Triallyl citrate

Identifiers

IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 42 41  0  0  0  0  0  0  0  0999 V2000
   -1.2811    4.2237    1.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3814    3.8629    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5557    2.6757   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075    1.8866   -0.5586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8267    1.2014    0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3598    1.2785    1.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4124    0.3924    0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770    1.3274   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705    0.6646   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9222    0.0341   -1.5670 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8575    0.6812    0.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0893    0.0489    0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9717   -1.3995   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6341   -2.2104    0.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1426   -0.7274   -0.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004   -1.6425   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5918   -2.4690    0.6875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042   -1.6236   -0.6610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1890   -2.5214   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4692   -2.2304   -0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0759   -3.1665   -1.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7693   -0.1846    1.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2698    5.1137    1.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    3.6495    0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2772    4.5027    0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3959    2.0765    0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9142    3.0479   -1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    2.1453    0.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1559    1.8274   -1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7494    0.2522    0.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    0.4695   -0.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3571   -1.8537   -0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -3.2835    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2586   -1.8366    1.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362   -0.3342   -1.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1100   -1.2681   -0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002   -3.5797   -0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3393   -2.3930    0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8745   -1.2471   -0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6587   -4.1623   -1.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0039   -2.9240   -2.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0019   -0.3046    2.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
  7 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
  7 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  8 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers