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
-4.0284 4.5762 0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5989 3.3314 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0887 2.7953 1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7459 2.3545 1.8734 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3680 1.3279 0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2801 0.8596 0.2985 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0753 0.8740 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6197 1.0822 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0136 0.7142 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7124 0.3188 0.3141 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 0.7886 -1.9276 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9783 0.4059 -2.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5326 0.5098 -3.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7729 0.9293 -4.3484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 -0.5352 1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5567 -1.5517 0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2287 -1.3847 -0.3176 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5281 -2.8659 1.2166 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 -3.9130 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9854 -5.1556 1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3982 -6.1798 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7662 1.6831 1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3906 4.9291 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0309 5.2665 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6242 2.6976 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1167 3.6017 2.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7641 1.9957 2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5321 2.1910 -0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0638 0.6269 -1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5272 1.0240 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0021 -0.6788 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5616 0.2438 -3.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7313 1.2045 -4.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1274 1.0277 -5.3718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2566 -0.5019 2.4821 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 -0.8159 1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3421 -3.7398 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8902 -4.0146 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2746 -5.2434 2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0806 -6.1568 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2225 -7.0776 1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 2.4554 1.3029 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