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
3.6907 -1.3839 3.4113 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4921 -1.1503 1.9475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2044 -0.7090 1.6482 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0182 -0.4560 -0.0148 P 0 0 0 0 0 5 0 0 0 0 0 0
1.7748 -1.8321 -0.6414 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5728 0.5354 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6611 1.6941 -0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 0.0571 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7809 -1.1114 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1736 1.0233 0.0144 P 0 0 0 0 0 5 0 0 0 0 0 0
-2.1048 2.3040 0.8325 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2538 1.4875 -1.6137 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5915 1.6530 -1.9481 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6251 2.0698 -3.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5565 0.1362 0.3863 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8768 0.3296 1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1197 -0.4479 2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3954 0.2456 -0.6897 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 -0.6133 -1.6118 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2318 -0.0077 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8443 -2.4443 3.6819 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8297 -1.0175 4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5782 -0.8112 3.7654 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2050 -0.4475 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6014 -2.1365 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6171 2.0380 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 2.3618 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0856 -1.7368 0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7251 -1.5083 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0507 2.4434 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1151 0.6913 -1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6244 2.4036 -3.7633 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3603 2.8993 -3.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9155 1.1840 -4.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0586 0.0828 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0922 1.4126 1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9389 -0.2100 1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4441 -0.1497 3.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8773 -1.5283 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3303 -0.9194 -2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3122 -1.5473 -1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7747 0.6710 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0027 0.5906 -3.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9219 -0.8342 -2.4983 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