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
2.4313 4.4262 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8280 3.3855 1.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3633 3.2847 1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0873 2.1134 0.8018 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3010 0.8501 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0735 0.6700 2.1268 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2097 -0.3149 0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6930 -0.2909 0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3806 -1.3965 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6852 -2.2513 -0.7596 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7550 -1.5381 -0.1957 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4064 -2.6075 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8771 -2.4566 -0.6988 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3759 -1.4425 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3040 -0.1795 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7926 -0.1704 -0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3698 -0.0673 -2.0789 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 -0.2634 0.1645 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9727 -0.2488 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5287 -1.3628 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2786 -1.1365 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2999 -1.4980 0.9422 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5150 4.4736 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8568 5.2168 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4187 2.5847 1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0273 3.2796 2.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1037 4.1455 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9335 -0.2792 1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1341 0.6535 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2047 -2.5776 -1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1186 -3.5947 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5854 -3.1672 -1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6880 -0.7324 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4335 -1.2802 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 0.8201 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0094 -0.9709 -1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3309 0.7484 -0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3456 -0.3373 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3195 -2.3755 -0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5237 -0.1150 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7085 -1.9189 -2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -2.0783 1.2567 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