Monomers
2-[(Diethoxyphosphoryl)oxy]ethyl prop-2-enoate
Identifiers
IUPAC name
2-diethoxyphosphoryloxyethyl prop-2-enoate
InchI
InChI=1S/C9H17O6P/c1-4-9(10)12-7-8-15-16(11,13-5-2)14-6-3/h4H,1,5-8H2,2-3H3
InchI Key
AWQIKUQPESBGMJ-UHFFFAOYSA-N
SMILES
CCOP(=O)(OCC)OCCOC(=O)C=C
Canonical SMILES
CCOP(=O)(OCC)OCCOC(=O)C=C
Isomeric SMILES
CCOP(=O)(OCC)OCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H17O6P
Heavy Atom Count
16
Molecular Weight
252.203
Exact Molecular Weight
252.0763
Valence Electrons
94
Radical Electrons
0
tPSA
71.06
MolLogP
1.9133
H Bond Acceptors
6
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
33 32 0 0 0 0 0 0 0 0999 V2000
-2.6660 3.5631 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7179 2.3688 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8175 1.6307 -1.1697 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8724 0.2744 -1.2246 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.0955 0.2440 -2.5245 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8317 -1.1149 -1.1506 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7908 -1.0278 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5878 -2.3136 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2483 0.1781 0.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6861 -1.1474 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6999 -1.3694 1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8504 -0.5886 1.0444 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7048 -0.6345 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3926 -1.4538 -0.9626 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8950 0.1993 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6555 0.0922 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6679 3.1633 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3358 4.2376 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8412 4.0851 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1183 1.7896 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7062 2.7753 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4532 -0.1670 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3652 -0.8929 0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2807 -2.3879 0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1850 -2.3797 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8707 -3.1723 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1741 -1.8378 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0573 -1.4487 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9269 -2.4710 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1994 -1.1642 2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1108 0.8754 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5467 0.6898 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4041 -0.5952 -1.9896 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 1 0
4 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
15 16 2 3
1 17 1 0
1 18 1 0
1 19 1 0
2 20 1 0
2 21 1 0
7 22 1 0
7 23 1 0
8 24 1 0
8 25 1 0
8 26 1 0
10 27 1 0
10 28 1 0
11 29 1 0
11 30 1 0
15 31 1 0
16 32 1 0
16 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers