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
-1.6144 2.9836 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2094 1.5292 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7212 0.8652 1.3121 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2698 -0.7746 1.1644 P 0 0 0 0 0 5 0 0 0 0 0 0
-1.5667 -1.4618 2.4819 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2489 -1.4586 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3722 -2.0473 0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2498 -2.6630 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3531 -0.8047 0.7929 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6419 -1.2754 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1697 -1.2242 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5457 0.1075 -0.4517 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8255 0.6030 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7575 -0.2090 -0.7204 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1584 2.0074 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4168 2.3914 -0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1612 3.6108 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7178 3.0297 0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 3.3404 1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5460 1.1127 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0959 1.4356 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1150 -2.8423 1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0075 -1.3220 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1733 -2.1114 -1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3063 -2.6631 -0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9418 -3.7183 -0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2543 -2.2791 -0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 -0.5057 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5588 -1.7999 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4697 -1.6795 -1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3933 2.7606 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1704 1.6499 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7217 3.4128 -0.2733 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