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
1.5440 3.9844 -1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0034 3.5371 -2.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3357 2.2415 -2.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2883 1.4258 -1.5497 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4239 0.9138 -0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5236 1.2184 -1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4615 0.0274 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7003 -1.2495 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7219 -2.1613 1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3752 -1.9268 2.1369 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0131 -3.3706 1.1108 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0552 -4.2318 2.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8268 -5.4052 1.8738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3492 -6.6287 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8889 0.7445 1.4018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5124 1.1609 1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0190 1.8781 2.2512 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3828 0.8595 0.2898 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7165 1.2481 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8853 2.6981 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 3.5559 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8197 -0.2691 0.4701 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0263 4.9685 -1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5493 3.4527 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0342 4.1612 -3.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7485 1.7364 -3.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7441 2.4805 -2.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3220 -1.0537 -0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2230 -1.6979 -0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2995 -3.7561 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0978 -4.6051 2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8752 -5.2469 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9862 -7.4499 1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6881 -6.8113 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4739 1.7348 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 0.2825 2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3181 0.8900 1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1033 0.7855 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9095 3.0691 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8428 3.3398 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1264 4.6408 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0210 -1.1713 0.1556 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