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
0.4717 4.7248 0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1551 3.5879 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5474 2.3439 1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5407 1.3001 0.5732 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1241 1.4448 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7057 2.5329 -0.8461 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1681 0.3831 -1.6464 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8058 -0.8457 -1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1736 -0.4723 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6195 0.6907 -0.7504 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0152 -1.3930 0.0175 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3155 -1.0976 0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9055 -2.3164 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3007 -2.3276 2.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2061 0.0579 -2.2056 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1517 -0.4000 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7745 0.4464 -0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3493 -1.7329 -0.9714 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2292 -2.2826 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6326 -1.8897 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2671 -1.2318 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9207 0.8312 -2.7293 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5846 4.7588 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8803 5.6414 0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1885 3.6087 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4795 2.5511 1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1296 1.9837 2.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8005 -1.7165 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2615 -1.1644 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2181 -0.2848 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9490 -0.6747 -0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0112 -3.1976 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1901 -1.4344 2.8835 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7407 -3.1954 2.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5530 0.9590 -2.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0265 -0.7187 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9258 -2.1044 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1729 -3.4026 -0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1760 -2.1209 -1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3011 -0.9129 0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7495 -0.9917 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1391 0.0623 -3.3242 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