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
-0.9297 4.3727 2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0550 3.5369 1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0646 2.7688 0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0479 1.3860 0.8112 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0540 0.5586 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0747 1.0857 -1.4317 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0368 -0.9239 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1313 -1.3757 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4437 -0.9672 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9427 -1.6526 -0.8235 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1614 0.1090 0.5641 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4000 0.5391 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3709 -0.5896 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0202 -1.1598 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2918 -1.3228 0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5188 -0.8836 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5237 -0.2729 -1.2255 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7289 -1.1875 0.4542 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9909 -0.8538 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1868 -1.4800 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1769 -2.3291 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0413 -1.5226 -1.4259 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0179 4.9778 3.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7426 4.5060 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8456 3.4133 2.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0056 3.0224 0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7666 3.0998 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9674 -0.9343 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0672 -2.4761 0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7361 1.4299 0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4188 0.8190 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5264 -0.9313 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7066 -1.9674 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9200 -0.8749 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2682 -0.8004 1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3055 -2.4178 0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1455 0.2389 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7445 -1.2943 0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4945 -1.2251 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2726 -2.7556 -2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8990 -2.6257 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5038 -1.0397 -2.0815 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