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
-1.5671 5.3023 -0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6968 4.7232 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0505 3.5677 -2.4684 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2949 2.4146 -2.2088 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2601 1.7748 -0.9756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9551 2.2906 -0.0787 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5612 0.5465 -0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3550 -0.5960 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 -0.5277 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3235 0.3377 1.5088 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1676 -1.5941 0.7668 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0834 -1.6107 1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9445 -2.8017 1.8207 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2530 -2.6646 1.7344 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 0.7568 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4233 -0.4203 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2188 -0.4653 1.5826 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3975 -1.5160 -0.2125 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1819 -2.6792 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6382 -2.4055 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4067 -2.6926 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2543 0.2852 -1.9409 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2665 6.1398 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5946 4.9170 -0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3051 5.1142 -1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8767 3.8066 -3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1433 3.4042 -2.3855 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0275 -0.6400 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1468 -1.5790 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5271 -1.5266 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7056 -0.7047 1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4811 -3.7752 1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7245 -1.6943 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8758 -3.5448 1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2482 1.6101 0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0396 0.9579 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8655 -3.2131 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9175 -3.3497 -0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0354 -1.9680 -0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4768 -2.4733 0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9593 -3.1294 1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7836 -0.3776 -2.5092 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