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
-3.1422 4.3361 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4162 3.8036 -0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9421 4.0121 -0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2244 2.7943 -0.8201 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3339 1.9437 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1048 2.3579 1.2038 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 0.6672 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9098 0.8685 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6589 -0.3919 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7492 -0.9645 1.4744 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2726 -1.0003 -0.7114 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9936 -2.1978 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1718 -2.1806 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3168 -3.0116 1.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1027 -0.2558 -0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5560 -0.5239 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1279 0.0200 0.4925 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2836 -1.3630 -1.2878 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6322 -1.6210 -1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9839 -2.3176 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1711 -2.7349 1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0759 0.0912 1.6101 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2027 4.1633 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6297 4.9397 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9253 3.1946 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7046 4.4839 -1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6566 4.7152 -0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2173 1.5060 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1190 1.4812 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4139 -2.3210 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3611 -3.0984 -0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9443 -1.4543 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1845 -2.9753 1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5783 -3.7689 1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 -1.1844 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0411 0.2380 -1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9541 -2.3085 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2840 -0.7287 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0676 -2.4990 0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5657 -3.2336 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1139 -2.5954 1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2250 -0.8863 1.5171 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