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
-1.6678 4.6199 -1.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7794 3.8611 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2430 3.0819 -1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1190 1.6834 -0.9167 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2371 1.1617 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.9110 1.3133 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1102 -0.3160 0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 -1.0758 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5031 -0.6347 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4505 -1.1767 -0.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8353 0.3435 1.0058 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1713 0.7350 1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8664 1.2607 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3633 2.4862 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3118 -0.6521 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6413 -2.0556 0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8496 -2.8577 1.0224 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8937 -2.5597 0.1394 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2558 -3.9115 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6579 -4.0931 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6037 -4.4839 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2778 -0.4953 1.9852 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4094 5.1850 -0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6701 4.6921 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8093 3.8160 0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2584 3.4598 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1528 3.2649 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8264 -0.9876 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0677 -2.1390 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1236 1.5497 2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7677 -0.0840 1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9871 0.6340 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8752 2.8862 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2498 3.1270 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4204 -0.3780 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9997 0.0360 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2081 -4.2233 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5805 -4.5168 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8910 -3.8992 -1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3807 -4.6750 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6113 -4.6164 0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4199 0.0362 2.4429 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