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
0.6198 4.5013 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1558 3.3817 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4108 2.3281 -0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 1.0797 -0.3331 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0274 0.7626 0.9136 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5412 1.6847 1.5952 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0801 -0.6154 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6813 -1.5968 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1287 -1.2681 0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8801 -1.9657 -0.2313 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6903 -0.2400 1.2098 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0311 0.1370 1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5612 0.5416 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5775 -0.0806 -0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4674 -1.1194 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3272 -1.1728 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5589 -1.4787 0.6039 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9647 -0.9251 -0.8671 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9055 -1.0085 -1.9318 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5022 -2.3908 -2.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8086 -2.5800 -1.8864 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5537 -0.6380 2.6804 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2287 5.2463 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4278 4.6943 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2280 3.2307 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6102 2.6786 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9176 2.1863 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4780 -2.6090 0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2597 -1.5464 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7002 -0.6815 1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1416 0.9704 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1077 1.3720 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0262 -0.9129 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9625 0.2044 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4549 -2.1465 2.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0005 -0.5005 2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 -0.8699 -2.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6905 -0.2397 -1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8492 -3.2185 -2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1936 -3.5861 -1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4342 -1.7174 -1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2159 0.1088 3.2255 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