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
-3.5907 -2.3397 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8611 -1.0442 -0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9563 -0.2649 0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9566 0.7469 0.4267 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6025 0.3809 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4152 -0.8280 0.2466 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6378 1.4393 0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0815 2.7760 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2544 3.8528 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0942 3.6557 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5551 2.3820 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7142 1.2471 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3378 -0.0625 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7347 -1.1243 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7269 -0.1721 -0.1724 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3484 -1.4616 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1089 -2.2915 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1069 -2.7401 1.6722 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5076 -2.9633 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4365 -2.8447 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0038 -0.5969 -1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9234 0.2627 0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7974 -0.9242 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1568 2.9337 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6150 4.8699 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7721 4.5177 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6066 2.2031 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4302 -1.2387 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0802 -1.9656 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1023 -2.5669 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9560 -3.3525 2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1221 -2.4862 1.3978 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