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
1.5963 4.4306 1.6916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6725 4.4549 0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7220 4.1483 1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1553 3.0009 0.3749 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5324 1.7899 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4633 1.6254 1.2075 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9721 0.5657 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2925 -0.5136 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7504 -1.7566 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8792 -1.8065 -1.2368 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0477 -2.8908 0.7380 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4802 -4.0458 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7269 -3.8779 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8208 -4.5826 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1336 0.2463 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4128 -0.0443 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6493 -1.1656 -0.1811 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3929 0.9221 -0.6091 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6588 0.7048 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4200 -0.3739 -0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8300 -1.4714 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0788 0.9471 -1.0672 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6384 4.6436 1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3625 4.1932 2.7329 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9344 4.6906 -0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8582 3.9823 2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3390 5.0335 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1757 -0.1592 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5046 -0.6873 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6487 -4.4384 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6435 -4.8438 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7565 -3.1459 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8004 -5.3140 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7108 -4.4313 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1334 -0.5665 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1849 1.1640 -1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5441 0.5544 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2144 1.6767 -0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6716 -0.2846 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5974 -1.5998 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3840 -2.2555 -0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7322 1.4808 -1.8351 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