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
-2.9586 -4.2428 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3583 -3.8586 -0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7388 -2.5663 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6483 -1.6678 0.4224 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 -1.1952 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2217 -1.5732 -1.7873 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2290 -0.2383 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4503 -0.9536 -0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6959 -0.1707 -0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9387 0.7098 -1.6945 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5992 -0.3967 0.1684 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8215 0.3469 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5720 -0.1198 1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8689 0.6963 2.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0300 0.9968 -1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2678 1.6891 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3828 1.2849 -1.3091 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3164 2.7817 -0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5213 3.4198 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4911 2.5479 1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9050 2.8298 2.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3853 0.0351 0.8971 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6929 -5.1918 -1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7148 -3.6406 -1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 -4.4648 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5864 -2.1319 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0074 -2.8075 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3484 -1.2499 -2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5647 -1.9334 -0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3994 0.2988 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5352 1.4003 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8806 -1.1544 1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5906 1.7460 2.4712 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4219 0.3272 3.2995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0743 0.7025 -2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8708 1.6574 -1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0273 3.9049 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2152 4.2669 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8679 1.6750 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5450 3.7177 2.8042 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6254 2.1734 2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4548 0.3489 1.2918 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