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
-2.6964 5.3625 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6662 4.0456 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6961 3.4272 -1.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5547 2.6330 -1.5445 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 1.5432 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8706 1.2057 0.1745 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0423 0.7122 -1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3642 -0.6110 -1.6365 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1568 -1.4784 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4640 -1.2545 0.4282 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6533 -2.7048 -1.2512 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 -3.5736 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7134 -4.0449 0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2312 -3.7758 1.9365 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9828 0.7181 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1950 -0.0640 -0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4390 -0.6080 -1.3577 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1931 -0.2583 0.7161 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3535 -1.0114 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2622 -1.0752 1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9086 -0.4678 2.7163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6629 1.3827 -2.1826 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6740 5.8094 1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7439 6.0325 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6191 3.4234 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7501 4.2210 -2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5944 2.7886 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0852 -0.3634 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4303 -1.1935 -2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5898 -4.4870 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4012 -3.2030 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7808 -4.6078 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1540 -3.2210 2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7349 -4.1099 2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2317 1.7713 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4976 0.2475 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0644 -2.0821 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8748 -0.6394 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2091 -1.6148 1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5648 -0.5076 3.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9612 0.0675 2.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0797 1.5655 -2.8289 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