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
-3.1781 3.7283 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8110 2.3542 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9596 1.7297 -0.6729 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4953 0.2344 -0.3085 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.6996 -0.3324 -1.5524 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8398 -0.8927 -0.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 -2.1523 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2372 -3.2856 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5369 -0.1153 1.0234 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7370 0.5720 0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7336 -0.4679 0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0509 -0.5692 0.9884 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0538 -0.2710 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7366 0.3383 -0.9754 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4792 -0.5859 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4467 -0.2944 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 3.9448 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0404 4.5073 0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2199 3.7716 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 2.3996 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7978 1.7889 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6399 -2.2128 0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5879 -2.2193 -1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2442 -2.9023 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3757 -3.5296 0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9220 -4.1416 -0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6799 1.1845 1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6308 1.2563 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4217 -1.0502 1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2777 -1.2813 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7564 -1.2524 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4833 -0.5359 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3186 0.2820 -1.4746 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