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
3.8615 -1.7853 1.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0249 -2.0459 0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6397 -2.4238 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7044 -1.5291 0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6230 -0.1747 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 0.2413 1.4405 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3911 0.7130 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 1.1263 1.0403 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0313 -0.0499 1.6222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.2111 1.2209 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9626 0.0928 2.6327 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5978 -1.0656 3.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5463 -0.6054 4.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6867 0.6845 4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1889 2.0088 -0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2576 1.8784 -1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 2.1466 -1.2510 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 1.4569 -2.8428 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0960 1.3469 -3.7438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6295 0.8156 -5.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1681 -0.3161 -5.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0739 0.0733 -1.0765 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9102 -1.4990 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4920 -1.8605 2.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3561 -1.9812 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3544 -3.4468 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4778 -2.3906 1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7123 1.6333 1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0724 1.9046 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0937 -1.6038 2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 -1.6482 3.6461 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1067 -1.3505 4.7653 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3843 1.0135 5.2754 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1427 1.4632 4.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6604 2.5711 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4950 2.5820 0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 0.7618 -3.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3872 2.4192 -3.9738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9001 1.3255 -5.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 -0.8179 -4.8343 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8890 -0.7749 -6.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8349 0.3220 -1.9933 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