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
-1.6822 -5.0279 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6072 -4.2781 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1913 -3.7756 1.6266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1903 -2.3632 1.5889 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5990 -1.6278 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3536 -2.2496 -0.0679 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5765 -0.1206 0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9808 0.3280 0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1519 1.7762 1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 2.4393 2.0085 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6698 2.4312 -0.0926 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8276 3.8330 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7502 4.2184 1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8711 4.8814 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0857 0.2805 -0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2744 -0.2798 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8289 -0.9621 0.0266 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9831 -0.0807 -2.0479 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2773 -0.5925 -2.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2124 -0.0507 -1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2563 0.6721 -1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3193 0.3112 1.6550 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2662 -5.2826 1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9862 -5.3934 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0434 -4.0408 -0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8884 -4.0714 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7992 -4.1730 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2831 -0.1566 1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6488 -0.1719 0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1828 4.2488 -1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8338 4.2923 0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5600 3.9857 2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5748 5.1806 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0963 5.1330 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0078 1.3982 -0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7230 -0.1146 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2704 -1.7083 -2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5600 -0.2669 -3.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0340 -0.2521 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4743 0.8991 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9389 1.0675 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3017 -0.3364 2.4031 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