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
-0.3747 6.5200 -1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1680 5.6200 -0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6114 4.5689 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8860 3.2607 -0.2519 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4546 2.1182 0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1779 2.2878 1.4717 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 0.7519 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4855 -0.0499 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4420 -0.3240 0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3586 0.0209 1.8266 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5861 -1.0544 0.2785 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5804 -1.3777 1.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6428 -2.1493 0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9290 -3.3761 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6467 0.0626 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9714 -1.3260 0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1979 -2.2939 0.7558 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1243 -1.6628 -0.2357 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4280 -2.9824 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4155 -3.6069 -1.4909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8009 -4.7023 -1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4561 0.8780 -1.2895 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 6.4764 -0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7464 7.3066 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2443 5.6107 -0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1221 4.5835 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4725 4.6913 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0324 0.5163 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2039 -1.0127 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1906 -1.9295 2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0824 -0.4463 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1713 -1.6985 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4044 -3.8549 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6950 -3.9324 0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2854 0.0465 1.9044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5954 0.6704 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3677 -2.9041 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7100 -3.6239 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1792 -3.1714 -2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0369 -5.1522 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0479 -5.1717 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5591 1.8124 -1.5498 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