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
0.0259 4.2197 -3.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1506 3.9179 -2.5278 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8733 2.6572 -2.9297 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9977 1.7465 -1.8437 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8714 1.0482 -1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2208 1.2191 -1.9181 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1196 0.1228 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0237 0.1310 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3056 -0.3172 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 -1.5819 0.0904 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3886 0.4632 -0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5781 -0.1862 -0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6323 0.7984 -1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7772 0.7513 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2335 -1.2623 -0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5172 -2.3381 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4094 -3.5093 -0.3389 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8744 -2.1422 1.4205 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1457 -3.1964 2.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5661 -2.7124 3.6928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 -2.9834 4.7208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 0.4772 0.3898 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6201 5.0496 -2.9973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3570 3.5230 -3.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5565 4.5218 -1.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8750 2.9632 -3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 2.1605 -3.7072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 1.1917 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3075 -0.4434 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9483 -0.7435 0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3714 -0.9159 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3614 1.5195 -1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0777 0.0725 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5556 1.4927 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0899 -1.2551 -1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3326 -1.5065 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0529 -3.7291 1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3003 -3.8911 2.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4969 -2.0911 3.6114 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8047 -2.2853 5.5546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 -3.2122 5.5987 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2385 0.2559 1.3670 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