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
-0.5496 -4.4269 -1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0893 -3.2655 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6532 -2.0237 -1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1283 -1.0966 -0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8436 -0.5913 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0300 -0.9674 0.2396 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2555 0.3643 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8600 -0.1756 1.8542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0398 -0.6456 1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2324 -0.5999 -0.1078 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1099 -1.2251 1.8354 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2644 -1.6922 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9840 -0.6724 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1573 -0.7958 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1036 1.6749 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 2.3059 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5604 1.9182 -1.3707 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8101 3.3211 0.3704 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9610 3.9238 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0617 2.9782 -0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2253 3.1513 0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 0.7260 1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2300 -4.4613 -2.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8492 -5.3713 -1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8586 -3.2587 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4492 -1.4938 -2.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1761 -2.2280 -2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 -1.0771 2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1349 0.5223 2.6879 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 -2.5028 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9514 -2.2201 1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3867 0.1972 0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6895 -0.0579 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7712 -1.6582 -1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7962 1.4105 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5534 2.3693 1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6379 4.2998 -1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2663 4.8237 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9258 2.1385 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0531 2.4678 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4222 3.9860 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7688 -0.0717 2.2741 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