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
-0.1644 5.0072 -1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6081 3.8398 -1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2883 2.9831 -0.4636 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0678 1.3154 -0.3160 P 0 0 0 0 0 5 0 0 0 0 0 0
0.1373 0.6724 -1.6691 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9960 0.6683 0.8627 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0190 -0.1887 0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8073 -1.5399 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8249 -2.4011 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -1.8809 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3037 -0.5408 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2557 0.3063 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6843 1.1368 0.2276 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2848 -0.0904 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1942 -0.7252 1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7616 -1.9514 1.8833 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4657 -2.6003 0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5708 -1.9933 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9895 -0.7501 -0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8664 5.3033 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8701 5.6725 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6283 3.5318 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8350 -1.9280 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6861 -3.4937 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8507 -2.5997 -0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2997 -0.1527 -0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4777 1.3652 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6424 -0.2246 2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6633 -2.4074 2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9148 -3.5736 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1238 -2.4885 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0751 -0.2718 -1.5600 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