Monomers
2,3-Bis(diethoxyphosphinyl)-1,3-butadiene
Identifiers
IUPAC name
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
InchI
InChI=1S/C12H24O6P2/c1-7-15-19(13,16-8-2)11(5)12(6)20(14,17-9-3)18-10-4/h5-10H2,1-4H3
InchI Key
OOUVWKWFPOODNY-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)C(=C)P(=O)(OCC)OCC)OCC
Canonical SMILES
CCOP(=O)(C(=C)C(=C)P(=O)(OCC)OCC)OCC
Isomeric SMILES
CCOP(=O)(C(=C)C(=C)P(=O)(OCC)OCC)OCC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H24O6P2
Heavy Atom Count
20
Molecular Weight
326.266
Exact Molecular Weight
326.1048
Valence Electrons
118
Radical Electrons
0
tPSA
71.06
MolLogP
4.546
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
44 43 0 0 0 0 0 0 0 0999 V2000
-4.6361 -0.1646 2.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9247 0.5726 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9177 -0.1971 0.6774 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1971 0.7484 -0.5513 P 0 0 0 0 0 5 0 0 0 0 0 0
-2.3986 2.2270 -0.2161 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4726 0.3796 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0408 -0.1740 -1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4505 0.6925 0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.2587 1.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 0.3493 0.2409 P 0 0 0 0 0 5 0 0 0 0 0 0
2.6817 0.9719 -1.0581 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5096 -1.3059 0.2719 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5717 -1.6500 -0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8713 -3.1123 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9607 1.0372 1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0879 1.7700 1.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7696 2.3852 2.4037 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9955 0.4869 -2.0177 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5204 -0.7959 -2.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2494 -1.0990 -3.3069 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9542 -0.6002 3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3395 -0.9208 1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2816 0.5649 2.8824 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6678 0.8069 0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4627 1.4886 1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6950 -0.4245 -2.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0057 -0.3979 -1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6596 1.5054 2.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0664 1.4766 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2810 -1.3559 -1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4896 -1.0930 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0312 -3.7154 -0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7843 -3.3719 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9657 -3.5122 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9096 2.4847 0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8136 1.0098 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8549 2.3616 2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4710 3.4491 2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5434 1.7947 3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7038 -1.5157 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1880 -0.9071 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3196 -2.1931 -3.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6418 -0.6926 -4.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2362 -0.6222 -3.3639 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 2 3
6 8 1 0
8 9 2 3
8 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
15 16 1 0
16 17 1 0
4 18 1 0
18 19 1 0
19 20 1 0
1 21 1 0
1 22 1 0
1 23 1 0
2 24 1 0
2 25 1 0
7 26 1 0
7 27 1 0
9 28 1 0
9 29 1 0
13 30 1 0
13 31 1 0
14 32 1 0
14 33 1 0
14 34 1 0
16 35 1 0
16 36 1 0
17 37 1 0
17 38 1 0
17 39 1 0
19 40 1 0
19 41 1 0
20 42 1 0
20 43 1 0
20 44 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers