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
-0.6287 5.5225 1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3618 4.8319 0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5796 3.4362 0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 2.5056 -0.0881 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6533 1.1561 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9034 0.8645 1.3732 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5427 0.1749 -0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6320 -0.7516 -0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8606 0.0872 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8119 1.3528 -0.7800 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1213 -0.4605 -0.4513 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2662 0.3856 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4938 -0.4000 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4607 -1.7043 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 -0.5326 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 -1.3094 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8227 -1.5163 1.1322 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6007 -1.9172 -0.1779 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1953 -2.6987 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3835 -3.8606 1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8670 -5.0825 1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2160 0.9044 -2.0914 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2949 5.1100 1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8247 6.5436 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9890 5.2868 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5982 3.4193 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1704 3.1473 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -1.3257 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7073 -1.3848 -1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3436 0.8128 -1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1202 1.2091 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4363 0.1500 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5221 -2.2329 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3681 -2.2635 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6255 0.1542 -1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6746 -1.2619 -1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2136 -2.9833 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3507 -2.0848 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3936 -3.7232 1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2712 -5.9463 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8642 -5.2704 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8814 1.6555 -2.1153 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