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
-3.4260 -1.3350 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0585 -1.0564 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3218 -0.1771 0.2792 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1863 0.0713 -0.3927 P 0 0 0 0 0 5 0 0 0 0 0 0
0.2520 -0.6207 -1.7573 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5586 1.7075 -0.6479 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0264 2.7644 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3299 2.9040 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4183 -0.6650 0.5394 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5879 -0.5289 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7852 -1.1298 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8425 -0.4742 0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3920 -2.2643 0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0845 -1.5876 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5045 -2.0246 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0841 -0.6178 -1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6117 3.5230 0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7641 3.7426 0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 2.1701 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7148 0.5471 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4455 -1.0550 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6460 -1.0141 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6041 -2.2199 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0378 -0.6596 1.4540 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