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
-2.4859 1.1548 3.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5827 0.5878 1.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0519 -0.7762 1.7233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0493 -0.7901 0.7229 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3765 -1.8790 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7413 -2.9667 0.9086 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6585 -2.0448 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1670 -3.3469 -0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1376 -3.5329 -1.8505 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6408 -2.4798 -2.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 -1.2172 -2.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1335 -0.9793 -1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6736 0.3723 -1.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2492 1.2486 -2.0322 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2520 0.9221 -0.4496 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5478 2.2976 -0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6189 3.1593 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5735 3.9756 0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0161 0.6226 3.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8782 2.1507 3.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0538 1.1277 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8703 -1.4482 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7094 -1.2087 2.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 -4.1548 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5020 -4.5534 -1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4053 -2.6971 -3.3087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5385 -0.3788 -2.9599 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8414 2.5340 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3684 2.5602 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 3.1443 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4100 4.5932 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3231 4.0033 1.5562 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