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
-2.0705 -3.4583 -1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4867 -2.1574 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4849 -1.1836 -0.5018 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7100 0.2134 0.0512 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.3763 0.0301 1.5226 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6602 1.5896 -0.1872 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5240 1.8164 0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3261 3.0488 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3014 0.4105 -0.8689 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7821 0.2189 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0830 0.3849 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1356 0.1748 0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4675 0.2575 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6680 0.5244 -1.4896 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5693 0.0437 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3370 -0.2362 1.9307 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8932 -3.2159 -1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4316 -4.0892 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2561 -4.0455 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6473 -1.7908 -1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 -2.3470 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8976 2.0420 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1285 0.9432 1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3410 2.7330 0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3574 3.7540 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8601 3.6268 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8145 0.9676 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7235 -0.7737 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1245 -0.3031 -1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1397 1.4137 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5736 0.1136 0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3146 -0.3046 2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1110 -0.4014 2.6601 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