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
-1.8486 -3.8379 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5385 -2.9383 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1260 -2.6551 1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2099 -1.2889 1.0697 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1041 -0.7544 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2978 -1.5022 -1.1167 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4366 0.6586 -0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7410 1.3888 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8678 1.4012 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8139 0.8702 0.9746 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0421 2.0319 -0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1273 2.0504 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3011 2.7592 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2381 3.2769 -1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5867 0.6322 -1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 -0.0390 -0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8244 -0.1576 -1.6022 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7556 -0.5484 0.3538 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8775 -1.1985 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0534 -0.2747 0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1772 -0.5939 0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8632 1.3674 0.5821 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0517 -4.3707 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8723 -4.0495 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3344 -2.4065 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0733 -2.8003 2.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5430 -3.3516 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0804 0.8807 -2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3967 2.4087 -1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8242 2.5879 1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4129 1.0283 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1881 2.8445 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3276 3.1875 -1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1014 3.7923 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8782 1.6733 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2831 0.0962 -2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0961 -2.0940 0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5685 -1.5025 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0189 0.6512 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0437 0.0369 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2419 -1.5246 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1225 2.2646 0.2952 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