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
0.4115 5.3099 1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6472 4.6618 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4710 4.2789 -0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5384 2.8654 -1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7053 1.9792 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8063 2.4065 1.1907 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7639 0.5385 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2751 -0.2608 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6500 0.1218 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9014 1.0518 -0.6959 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7140 -0.5405 0.6972 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0710 -0.2413 0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8774 -1.1825 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7361 -2.0304 0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1356 0.0180 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3255 -1.4097 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9385 -2.3393 0.6296 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9988 -1.8171 -1.2832 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2154 -3.1935 -1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0187 -3.8603 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5452 -4.8869 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6352 0.2981 -1.6460 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5961 5.5660 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2024 5.6172 1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6596 4.4145 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4584 4.7262 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4539 4.5484 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 -1.3354 0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1158 -0.2204 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3496 0.7949 0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2922 -0.4394 -0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7434 -1.1577 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9001 -2.0853 -0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2954 -2.6909 1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8702 0.6032 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2846 0.3380 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2625 -3.7319 -1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7657 -3.2158 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0141 -3.5066 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1477 -5.3435 0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5366 -5.2593 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4640 0.6102 -2.0850 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