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
-0.6378 1.0260 4.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0422 1.8048 3.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2936 1.8907 1.8501 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1681 0.5414 0.8613 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3212 -0.6954 1.6211 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6061 0.6109 -0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9427 0.4435 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4371 0.5267 -2.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7941 0.3617 -2.3913 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6914 0.1101 -1.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1978 0.0277 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8457 0.1915 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8382 0.5740 0.7475 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6318 -0.2012 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1129 -1.1497 -0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9377 -1.9328 -1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3077 -1.7695 -1.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8373 -0.8227 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0032 -0.0538 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4191 0.9211 5.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4803 0.4412 3.6045 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8692 2.3824 3.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7569 0.7227 -2.9524 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1814 0.4271 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7372 -0.0108 -1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8666 -0.1680 0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4649 0.1240 1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0296 -1.2661 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5146 -2.6691 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9791 -2.3640 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9292 -0.6863 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4730 0.6619 0.6032 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