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
Resources
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
1.2168 4.2888 2.2697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2323 3.5219 1.8291 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 2.2924 2.4168 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 0.9316 1.3397 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3616 -0.2722 2.1885 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5426 0.8368 0.7074 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0811 -0.2729 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3580 -1.4374 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9458 -2.5369 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2336 -2.5040 -1.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9519 -1.3346 -1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3722 -0.2442 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2106 1.2440 0.1545 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1250 0.3259 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3722 0.1252 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2595 -0.8146 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8674 -1.5856 -1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6299 -1.4194 -1.8974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7899 -0.4644 -1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4368 5.2372 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 3.9868 3.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3588 3.8779 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3454 -1.4754 0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 -3.4325 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7229 -3.3320 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9859 -1.2737 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9375 0.6898 -0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6302 0.7436 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2395 -0.9719 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5285 -2.3436 -1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3336 -2.0278 -2.7531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8223 -0.3587 -1.8552 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