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
0.6128 4.3891 2.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0873 3.9148 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2328 3.8463 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0765 2.5318 -0.4768 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4638 1.4970 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8466 1.7136 1.4188 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6275 0.1149 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0785 -0.2292 -0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4189 -1.5822 -0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5104 -2.3214 -1.1589 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6880 -2.1026 -0.6943 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9781 -3.4218 -1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2477 -4.4489 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8943 -5.3916 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2347 -0.7910 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6607 -0.3338 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0820 0.6390 1.1813 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5728 -0.9262 -0.3887 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9089 -0.5265 -0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0970 0.8692 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7457 1.7588 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1782 0.0051 -1.5852 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2226 4.4533 3.2603 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4150 4.7411 2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1176 3.5866 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7168 4.4431 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7525 4.3445 0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4772 -0.0636 0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6720 0.4933 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6434 -3.3927 -2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0659 -3.5708 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1656 -4.4326 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9777 -5.3907 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3603 -6.1638 0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2293 -1.8349 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0485 -0.7048 1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3722 -1.2110 -1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4717 -0.7375 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7013 1.2046 -1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1516 1.4266 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8809 2.7838 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3352 0.8212 -1.8250 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