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
-2.8336 3.1469 -1.9437 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5585 2.3312 -0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7156 1.2442 -1.0328 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 0.3469 0.3764 P 0 0 0 0 0 5 0 0 0 0 0 0
-2.1836 0.9468 1.5350 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7335 -1.2767 0.1726 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0650 -1.5495 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3280 -3.0105 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2270 0.5227 0.7306 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6594 -0.6529 1.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1370 -0.5526 1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8916 -0.3422 0.4889 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2625 -0.2264 0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8379 -0.3045 1.7474 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0704 -0.0122 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3787 0.0972 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5643 3.9255 -1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8568 3.5217 -2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2027 2.4272 -2.7216 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0855 2.9573 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5139 1.9535 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7693 -1.1195 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2616 -1.0525 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3150 -3.1388 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3612 -3.5400 0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5738 -3.4423 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1288 -0.8136 2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 -1.5430 0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4741 -1.4936 2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3468 0.3121 2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5834 0.0531 -1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8422 0.0273 0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9647 0.2573 -1.3445 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