Monomers
Diphenyl vinyl phosphate
Identifiers
IUPAC name
ethenyl diphenyl phosphate
InchI
InChI=1S/C14H13O4P/c1-2-16-19(15,17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h2-12H,1H2
InchI Key
RJYNTEFVOZNXEM-UHFFFAOYSA-N
SMILES
C=COP(=O)(Oc1ccccc1)Oc1ccccc1
Canonical SMILES
C=COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Isomeric SMILES
C=COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H13O4P
Heavy Atom Count
19
Molecular Weight
276.228
Exact Molecular Weight
276.0551
Valence Electrons
98
Radical Electrons
0
tPSA
44.76
MolLogP
4.4126
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
32 33 0 0 0 0 0 0 0 0999 V2000
0.4876 4.3382 0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1346 3.1957 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5523 2.1936 -0.0964 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0353 0.5931 -0.2398 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3228 -0.0207 1.1039 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1247 -0.3179 -1.0874 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3476 -0.6444 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2466 -1.3937 -1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4865 -1.7615 -0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8253 -1.3679 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9228 -0.6265 1.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6821 -0.2530 0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4827 0.5704 -1.1748 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5572 -0.1953 -0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5012 0.3563 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6153 -0.3597 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7188 -1.6637 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8042 -2.2481 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7062 -1.4961 -1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0179 5.1393 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4971 4.5331 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1432 3.0778 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9495 -1.6897 -2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1488 -2.3472 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8043 -1.6586 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1721 -0.3109 2.2449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9801 0.3307 1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4291 1.3733 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3613 0.0905 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5692 -2.2431 0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8614 -3.2652 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9671 -1.9289 -1.8373 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 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
4 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
12 7 1 0
19 14 1 0
1 20 1 0
1 21 1 0
2 22 1 0
8 23 1 0
9 24 1 0
10 25 1 0
11 26 1 0
12 27 1 0
15 28 1 0
16 29 1 0
17 30 1 0
18 31 1 0
19 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers