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
0.0001 5.6213 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5852 4.4637 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9481 3.5264 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2504 2.3122 -0.4199 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3969 1.2456 -1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1762 1.4255 -2.2801 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3234 -0.0356 -1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1512 -0.6483 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6280 -0.9202 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2811 -0.6258 -0.8857 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3039 -1.4856 1.2144 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6650 -1.7542 1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5605 -0.5791 1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1596 0.6722 1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8017 0.2010 -1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6256 -0.9732 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8564 -1.7515 -1.8579 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1704 -1.2548 0.3096 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9780 -2.3589 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3427 -3.6624 0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8488 -4.5586 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0312 -0.8889 -2.1159 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2304 5.9157 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2841 6.3391 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7778 4.2478 1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5829 3.9375 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0547 3.3567 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3516 -1.5727 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 0.0691 1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9219 -2.3296 2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9840 -2.4090 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6554 -0.7219 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1158 0.9225 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8470 1.5077 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0890 0.6669 -2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0411 0.9967 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3547 -2.2351 1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8805 -2.2958 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4329 -3.9391 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3759 -5.5136 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7453 -4.2864 -1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3546 -0.6275 -2.9785 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