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
   -1.6678    4.6199   -1.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794    3.8611   -0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    3.0819   -1.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190    1.6834   -0.9167 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2371    1.1617    0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    1.9110    1.3133 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102   -0.3160    0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147   -1.0758   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5031   -0.6347    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4505   -1.1767   -0.5372 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8353    0.3435    1.0058 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1713    0.7350    1.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8664    1.2607    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3633    2.4862    0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -0.6521    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413   -2.0556    0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496   -2.8577    1.0224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8937   -2.5597    0.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2558   -3.9115    0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6579   -4.0931   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6037   -4.4839    0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2778   -0.4953    1.9852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094    5.1850   -0.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6701    4.6921   -2.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093    3.8160    0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2584    3.4598   -0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528    3.2649   -2.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264   -0.9876   -1.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677   -2.1390    0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1236    1.5497    2.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7677   -0.0840    1.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9871    0.6340   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8752    2.8862   -0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2498    3.1270    0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204   -0.3780   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9997    0.0360    0.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2081   -4.2233    1.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5805   -4.5168   -0.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8910   -3.8992   -1.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3807   -4.6750    1.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6113   -4.6164    0.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4199    0.0362    2.4429 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