Monomers
Diethyl vinyl phosphate
Identifiers
IUPAC name
ethenyl diethyl phosphate
InchI
InChI=1S/C6H13O4P/c1-4-8-11(7,9-5-2)10-6-3/h4H,1,5-6H2,2-3H3
InchI Key
ULUJSLFWDQSXRS-UHFFFAOYSA-N
SMILES
CCOP(=O)(OC=C)OCC
Canonical SMILES
CCOP(=O)(OCC)OC=C
Isomeric SMILES
CCOP(=O)(OCC)OC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H13O4P
Heavy Atom Count
11
Molecular Weight
180.14
Exact Molecular Weight
180.0551
Valence Electrons
66
Radical Electrons
0
tPSA
44.76
MolLogP
2.3276
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
2.9334 -2.1398 1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6865 -1.6101 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6675 -0.2524 0.4756 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3810 0.5336 -0.2312 P 0 0 0 0 0 5 0 0 0 0 0 0
0.5587 0.4372 -1.7462 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4779 2.1952 0.2506 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3503 3.1641 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0295 4.4278 -0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 -0.0297 0.2646 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 -0.8959 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0517 -1.2992 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6824 -2.4437 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3787 -2.9926 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7069 -1.3594 1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8236 -2.1410 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7896 -1.9231 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3509 2.9713 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5716 5.2436 -0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0079 4.6782 0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0941 -1.8391 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8410 -0.5054 -1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3497 -2.2899 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8781 -1.3893 1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8155 -0.5405 -0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 3
4 9 1 0
9 10 1 0
10 11 1 0
1 12 1 0
1 13 1 0
1 14 1 0
2 15 1 0
2 16 1 0
7 17 1 0
8 18 1 0
8 19 1 0
10 20 1 0
10 21 1 0
11 22 1 0
11 23 1 0
11 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers