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
5.8873 -0.3964 0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7998 0.0682 1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4806 -0.6175 1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6116 0.2971 0.5142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2438 -0.0410 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9702 -1.1652 0.7034 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3942 0.9319 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9658 2.1690 -0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 3.1522 -1.3873 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 2.9068 -1.6419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6325 1.7185 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9103 0.6915 -0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6047 -0.5308 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1725 -1.5359 0.2963 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9815 -0.6471 -0.6060 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7295 -1.8054 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7563 -1.9511 1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9093 -1.9456 1.8254 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9495 -1.3214 0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8116 0.1587 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8387 1.0019 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5310 -1.5804 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1311 -0.8243 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0158 2.3243 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7557 4.0640 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6178 3.7002 -2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6735 1.5370 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1532 -2.6495 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7237 -1.7639 -0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8522 -2.0641 1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8608 -1.8341 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9985 -2.0473 2.8966 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