Monomers
Diallyl phthalate
Identifiers
IUPAC name
bis(prop-2-enyl) benzene-1,2-dicarboxylate
InchI
InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
InchI Key
QUDWYFHPNIMBFC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)c1ccccc1C(=O)OCC=C
Canonical SMILES
C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
Isomeric SMILES
C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H14O4
Heavy Atom Count
18
Molecular Weight
246.262
Exact Molecular Weight
246.0892
Valence Electrons
94
Radical Electrons
0
tPSA
52.6
MolLogP
2.3722
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
32 32 0 0 0 0 0 0 0 0999 V2000
-4.2730 2.3921 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9343 1.4216 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9091 1.6774 -0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8203 0.7863 -0.6845 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8873 -0.5715 -0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0833 -0.9932 -0.9629 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8791 -1.5753 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2663 -2.9288 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3850 -3.9726 -0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9306 -3.6732 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3608 -2.3815 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4399 -1.3254 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9708 0.0121 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3341 1.0645 -0.2808 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3525 0.2001 0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8690 1.5223 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3202 1.4592 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8591 1.9623 1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0066 2.2382 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8065 3.3599 0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4276 0.4373 0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3595 1.5471 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5850 2.7285 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3079 -3.1355 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7344 -4.9957 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6165 -4.5240 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4211 -2.1628 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3777 1.9967 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7290 2.0960 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9592 0.9848 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9196 1.9196 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2052 2.4337 2.2786 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 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
13 15 1 0
15 16 1 0
16 17 1 0
17 18 2 3
12 7 1 0
1 19 1 0
1 20 1 0
2 21 1 0
3 22 1 0
3 23 1 0
8 24 1 0
9 25 1 0
10 26 1 0
11 27 1 0
16 28 1 0
16 29 1 0
17 30 1 0
18 31 1 0
18 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers