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
1.2400 5.7046 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4664 4.4144 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2865 3.6946 1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3431 2.6522 1.2589 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4599 1.5705 0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4346 1.4725 -0.3473 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5694 0.4890 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0668 -0.8368 0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1503 -1.2297 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9929 -1.7816 -1.2293 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4655 -0.9596 0.2695 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5651 -1.3038 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6758 -2.7294 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7458 -3.4138 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 0.3699 -1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1051 -0.6788 -1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3435 -1.2301 -2.1788 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7831 -1.0186 0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7775 -2.0204 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3898 -2.2168 1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6925 -2.0021 1.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5801 0.7525 1.3102 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3934 6.1579 -1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9067 6.3296 0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8018 3.8390 -0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9586 4.4562 2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2891 3.3269 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4609 -0.6890 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6953 -1.6072 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5564 -0.7374 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4745 -0.9665 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8755 -3.2422 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5472 -2.9040 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8870 -4.4804 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2034 0.1717 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5900 1.3213 -1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2703 -2.9760 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5355 -1.7799 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7682 -2.5194 2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1304 -2.1462 2.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3073 -1.7104 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2420 0.4576 2.1970 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