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
-4.4638 -4.4339 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2392 -4.3433 -1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2223 -3.4681 -0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2914 -2.6737 -0.2707 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0819 -1.3172 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0077 -0.6081 -0.6547 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 -0.7527 0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9589 0.0406 -0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2337 0.5417 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3338 1.5025 0.6943 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3886 -0.1899 -0.3761 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6653 0.0523 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2527 1.3766 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3630 1.4783 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1889 0.1241 1.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0682 1.2451 1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3299 1.0602 1.3077 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6833 2.4842 0.7787 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4750 3.5869 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4061 3.3534 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7117 3.4819 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0422 -1.7321 0.7938 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8460 -3.7937 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1885 -5.1523 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0314 -5.0894 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6125 -4.4967 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8468 -3.3811 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3888 0.8956 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1946 -0.6338 -1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6401 -0.0419 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3374 -0.7839 -0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7770 2.2628 0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9035 0.6261 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7498 2.4921 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 -0.5631 2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 0.3994 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7664 4.4223 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0552 3.9704 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0260 3.0859 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4656 3.3353 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1070 3.7666 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6586 -2.1291 1.6111 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