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
2.4251 4.6708 -0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8224 3.8090 -1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3539 3.8326 -1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2512 2.6182 -1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 2.0601 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5378 2.6587 0.6866 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7822 0.7735 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 1.0772 1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3040 -0.1075 1.9986 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9999 -0.0121 3.0429 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 -1.3654 1.4154 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9269 -2.4842 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5260 -2.8524 3.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0091 -4.0485 3.5549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3588 -0.1786 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1896 -0.3624 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9065 0.2196 -1.7106 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2910 -1.1875 -0.5897 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1508 -1.4580 -1.6461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5113 -2.1724 -2.7613 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2463 -2.5634 -2.8257 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4977 0.2564 -0.8158 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8538 5.3881 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4960 4.6581 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4130 3.0824 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1361 3.9284 -2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0439 4.7064 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2734 1.9177 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8889 1.4423 2.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8025 -3.3444 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0276 -2.2345 1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6436 -2.1584 4.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6992 -4.3666 4.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8784 -4.7749 2.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9981 0.3365 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 -1.1526 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0151 -2.0831 -1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6149 -0.5211 -2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1684 -2.3968 -3.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5298 -2.3959 -2.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8738 -3.0942 -3.7183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3556 -0.1208 -0.5601 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