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
3.1421 -1.7529 -0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0749 -0.7143 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1387 -0.8411 0.3654 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0506 0.3384 0.0826 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.4179 0.3141 -1.3972 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5049 1.8653 0.5684 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3714 2.9241 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2851 3.9927 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4356 -0.1468 0.9246 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9792 -1.1947 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2166 -1.6875 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 -2.6629 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0934 -1.3400 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2682 -2.0311 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6061 -0.8323 -1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5574 0.2929 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8079 2.8598 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3965 4.8217 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7048 4.0357 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1639 -0.7897 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1818 -1.9621 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6216 -0.9704 1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9741 -2.6391 1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0404 -1.8797 0.1116 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