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
-4.4531 1.5513 2.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9911 1.5720 1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0411 2.6267 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8181 2.0520 0.1679 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0224 1.2656 0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3765 1.0330 2.1335 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2584 0.7157 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1497 -0.7985 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0457 -1.0740 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1587 -1.3483 -0.0274 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9847 -1.0392 -1.9218 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1271 -1.3057 -2.7365 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6437 -2.6733 -2.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6871 -3.4959 -3.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3629 1.2083 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7179 0.7862 0.8759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8917 0.0724 -0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8282 1.1672 1.6121 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1438 0.7828 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3279 -0.6826 1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7039 -1.3064 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3943 1.1430 -0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1417 2.2989 2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1424 0.7908 2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2901 0.8274 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9196 3.4125 1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4708 3.1574 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0823 -1.2271 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0148 -1.2606 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8454 -1.1523 -3.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9250 -0.5340 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9772 -3.0051 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3481 -3.1823 -4.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0632 -4.4910 -3.4416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1424 1.0186 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3560 2.3358 1.1566 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8112 1.2060 2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4794 1.2415 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1444 -1.2259 2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8941 -0.7894 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8405 -2.3844 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0935 0.7106 -1.4406 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