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
-1.8215 4.7082 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3868 4.0410 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0729 2.7955 -1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1730 1.6747 -1.2799 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5844 1.3292 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8668 2.0179 0.9326 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3635 0.1894 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2795 -1.0968 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5210 -1.3982 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4543 -0.5682 0.3887 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6568 -2.5911 1.0492 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8391 -2.8435 1.7455 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0368 -2.8688 0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0651 -2.0573 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5470 0.5092 -0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6229 -0.4855 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6118 -1.4914 -0.0247 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7389 -0.2745 -1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 -1.2073 -1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4608 -1.2089 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1299 -0.4254 0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7847 0.1367 1.3996 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6996 4.3278 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3140 5.6159 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5267 4.4184 -1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5347 2.8941 -2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9216 2.5733 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4509 -1.9119 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5070 -0.9284 -1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9974 -2.0992 2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7790 -3.8351 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0452 -3.6082 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0726 -1.3219 1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8938 -2.1242 0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0057 1.4764 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1908 0.6704 -1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4863 -0.9196 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4162 -2.2438 -1.7664 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2948 -1.9193 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7313 -0.5437 1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3597 0.3117 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0674 0.2824 2.0618 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