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
-3.4713 5.1455 0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2973 4.7309 1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0925 3.3039 1.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0602 2.7377 0.6181 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7464 1.3790 0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4119 0.7328 1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3031 0.7089 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3965 0.1476 0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4231 -0.5165 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2340 -1.6556 -0.5315 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6253 0.0975 -0.2341 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6852 -0.4422 -1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1113 -1.7122 -0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3384 -1.8653 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2676 -0.2487 -1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 -1.3621 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2917 -1.6810 0.6518 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6182 -2.2054 -1.4955 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3924 -3.3178 -1.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6047 -3.0237 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8262 -3.3033 -0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9266 1.7137 -0.8457 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6433 6.1999 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3285 4.4935 0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4882 5.4579 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7645 3.2240 2.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0074 2.7337 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8459 1.0204 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9989 -0.5080 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3888 -0.5867 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5341 0.2688 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3933 -2.5105 -0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0444 -1.0579 -0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6405 -2.7936 0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9540 0.3527 -1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5319 -0.5935 -1.7481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7983 -4.1481 -0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7447 -3.7386 -2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4520 -2.5622 0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6599 -3.0658 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0369 -3.7638 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5862 2.2141 -0.3384 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