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
-1.5008 4.9351 -2.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 3.8620 -2.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3467 3.6792 -1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0767 2.5481 -0.6381 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1350 1.2796 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 1.1416 -2.3831 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4510 0.0888 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7913 0.3309 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2210 -0.8114 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2622 -0.6913 2.4308 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5789 -2.0158 0.6246 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0005 -3.1249 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2605 -2.8636 2.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3083 -2.9556 3.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6112 -0.2970 0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9206 -0.6464 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1750 -0.4151 -1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9084 -1.2534 0.7647 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1613 -1.6667 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1333 -0.5766 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6418 -0.5881 -1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6602 -0.9790 -1.2454 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2246 5.7774 -1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3211 5.1043 -3.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0685 3.0507 -3.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4894 4.6100 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2272 3.4470 -2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5052 0.5475 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6741 1.2658 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2092 -3.3388 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0796 -4.0382 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1824 -2.5773 1.5814 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2120 -2.7729 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4199 -3.2285 3.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 -1.1092 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7948 0.5584 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1635 -2.4341 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6178 -2.1676 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3035 0.1399 0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0771 -0.5928 -2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4014 0.5722 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3580 -1.7948 -0.7862 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