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