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
-2.8041 -3.5408 -0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7165 -2.8428 -1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 -2.8978 -0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1733 -1.6442 0.1763 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1696 -0.5697 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1804 -0.7360 -1.8494 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5254 0.7581 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3849 1.8004 -0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8056 1.5635 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0922 0.5548 0.3629 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7824 2.4325 -0.7151 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1261 2.2938 -0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4800 2.2618 1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2868 3.1868 1.4793 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9741 1.0477 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8096 0.0122 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5303 -1.1920 0.0652 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8708 0.4211 1.0223 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7116 -0.4731 1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5479 -1.2215 0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4839 -1.0165 -0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4189 0.8289 1.3065 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6572 -3.4734 -1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8101 -4.1784 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6906 -2.2138 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 -3.6704 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3250 -3.2642 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0684 2.7754 -0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2532 1.9107 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5389 1.3475 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7218 3.1027 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0593 1.4633 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5537 3.1726 2.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6773 3.9525 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1048 1.0043 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2375 2.0696 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1266 -1.2512 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3634 0.0940 2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -1.9826 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1210 -1.5930 -1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8238 -0.2742 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2151 -0.0187 1.7305 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