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
-4.0529 -3.3839 -1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9472 -3.3578 -0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8854 -2.4023 -1.2333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6348 -1.5343 -0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6602 -0.5184 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0709 -0.4668 -1.3127 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3974 0.3837 0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0407 0.2603 1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3631 -1.1318 1.6969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4633 -2.0045 1.7108 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6525 -1.5247 2.0535 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9718 -2.8516 2.4258 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6726 -3.8289 1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6716 -4.5646 0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8384 1.7985 0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2076 2.5095 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6765 1.9727 -1.0861 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5702 3.7956 -0.7092 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0025 4.5328 -1.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6382 5.8614 -1.7936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0869 6.9424 -1.6403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1796 -0.0832 2.0291 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1630 -2.6995 -2.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8270 -4.0874 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7926 -4.0417 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2122 -1.7397 -2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9145 -2.8776 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3312 1.0036 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6776 0.4885 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3669 -3.1385 3.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0275 -2.8811 2.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6696 -3.9672 0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6774 -4.4429 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4691 -5.2764 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8181 2.3935 1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9428 1.7421 0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1785 4.0561 -2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0906 4.6270 -1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6988 5.9334 -1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3770 7.9165 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1726 6.9269 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0768 -0.3397 1.6508 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