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
0.8023 5.2853 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2200 4.4741 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1098 3.4415 1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2473 2.1861 0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2066 0.9850 1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0416 0.8738 2.5745 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3681 -0.2729 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8575 -1.1510 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0984 -0.4413 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1991 -1.0351 0.4377 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0867 0.8303 -0.1774 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2249 1.5565 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9712 0.9187 -1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2363 0.5614 -1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -0.9756 1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9134 -2.2259 0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3414 -2.6057 -0.5257 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9385 -2.9998 1.1074 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2750 -4.2023 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7642 -3.9468 -0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9962 -4.3473 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5476 0.0138 -0.8081 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7020 5.2358 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 6.0456 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 4.5385 -0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8180 3.5519 1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9727 3.6469 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7237 -2.0490 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8714 -1.4573 1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8451 2.5787 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8763 1.7400 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4918 0.7246 -2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7263 0.7507 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8043 0.0891 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2756 -1.0926 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3820 -0.2190 1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0373 -4.6992 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3212 -4.7872 0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1532 -3.4596 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6348 -4.8312 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3754 -4.1764 -2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3284 0.9471 -1.0299 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