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
-1.5351 2.1778 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5535 2.3270 1.5418 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7409 1.6562 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6636 0.7633 -0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7267 -0.0155 -1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8332 0.1744 -1.8339 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8204 -0.9674 -1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3164 -1.8356 -2.7445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5648 -2.8630 -3.2475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7062 -3.0714 -2.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2256 -2.2606 -1.7796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4378 -1.1918 -1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0773 -0.2886 -0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6377 0.7640 0.0818 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3451 -0.6463 0.1597 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0953 0.1093 1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4100 0.3344 2.3585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1316 1.5654 2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4828 2.7444 3.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6926 1.5217 2.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3366 3.0324 1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6358 0.9626 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9638 2.3212 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3232 -1.6311 -3.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9814 -3.4866 -4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -3.8922 -3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 -2.4259 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4202 1.0893 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0041 -0.4874 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1440 -0.5488 2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4189 2.3899 2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6284 1.6788 3.7575 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