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
-0.8280 -3.8724 -1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3071 -3.4519 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0960 -2.7601 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 -1.4496 0.7715 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5204 -0.4792 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9381 -0.8315 -1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0018 0.8859 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8074 1.6112 1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2307 1.7717 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9849 0.7727 0.8944 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 2.9199 0.2202 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1706 2.9582 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9486 2.6804 1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7704 1.6413 1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4316 0.8721 0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3508 0.2417 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0104 -0.2311 -1.5756 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6926 0.1741 -0.1253 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6737 -0.3928 -0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9865 -0.2775 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7062 -1.3278 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0850 1.6030 -1.1712 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8887 -3.7144 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1949 -4.3738 -2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7383 -3.6138 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1254 -2.6197 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1200 -3.3003 1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 2.5776 1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7384 1.0060 2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4278 3.9370 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3611 2.1472 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7918 3.3713 1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3060 1.4828 2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9016 0.9788 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5288 0.3502 1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7433 1.9308 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7161 0.0417 -1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4198 -1.4862 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3692 0.7098 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6361 -1.2149 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3546 -2.3092 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1169 1.0406 -1.9739 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