Monomers
2-Methylidenebutanedioate;tributylstannanylium
Identifiers
IUPAC name
2-methylidenebutanedioate;tributylstannanylium
InchI
InChI=1S/C5H6O4.6C4H9.2Sn/c1-3(5(8)9)2-4(6)7;6*1-3-4-2;;/h1-2H2,(H,6,7)(H,8,9);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InchI Key
HCYQUDAPBSFLSL-UHFFFAOYSA-L
SMILES
[O-]C(=O)CC(=C)C(=O)[O-].CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC
Canonical SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Isomeric SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C29H58O4Sn2
Heavy Atom Count
35
Molecular Weight
708.201
Exact Molecular Weight
710.2379
Valence Electrons
206
Radical Electrons
0
tPSA
80.26
MolLogP
7.1955
H Bond Acceptors
4
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
93 90 0 0 0 0 0 0 0 0999 V2000
2.7368 0.6420 0.1455 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8117 -0.3731 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0328 -1.4472 0.6195 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6110 -0.2014 -0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6062 0.0616 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6234 -0.7729 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6782 1.2262 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7258 1.4389 1.5341 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3467 2.1410 0.9875 O 0 0 0 0 0 1 0 0 0 0 0 0
4.4587 -2.2801 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2376 -0.9171 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7923 -0.5966 0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9364 -0.6501 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0648 -0.1609 0.1490 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.3639 1.8967 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1504 2.7163 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0099 4.1979 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4511 4.5064 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7663 -1.2330 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 -2.3812 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2392 -3.1454 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3943 -2.1765 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6175 -0.3473 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8670 -1.0216 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4412 -0.5177 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7617 -0.8262 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2742 -0.1725 -0.4206 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.9210 -1.4945 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7607 -2.7440 -1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0330 -3.5704 -0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2589 -2.8030 -1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6290 1.9562 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 2.3418 1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8120 3.8064 1.3822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2043 4.6581 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 0.6421 -1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4410 -1.0843 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6185 -1.6525 -0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5408 -0.6204 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8040 -2.9950 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5072 -2.5823 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3051 -2.3126 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 -0.1665 -0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8444 -0.8136 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4355 -1.2901 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7142 0.4219 1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9816 -1.6036 -1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2621 0.1402 -1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2549 2.1673 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4239 2.1008 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2036 2.4192 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4171 2.3822 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6343 4.4562 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3959 4.7104 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7383 5.3869 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1152 3.6774 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6501 4.6882 1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5612 -1.6533 -1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6651 -0.5930 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2160 -1.9788 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1257 -3.0050 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9960 -3.5671 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4208 -3.9719 0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2388 -1.4240 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3557 -2.7201 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3480 -1.6504 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6813 -1.0351 -1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6825 -0.1417 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0814 0.5694 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8871 -2.1270 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3961 -0.7207 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9799 -1.0432 1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4740 0.5816 1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8700 -1.8912 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2933 -0.2375 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8248 -0.9648 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1973 -1.7453 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8965 -3.3535 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7305 -2.4876 -2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0954 -3.7199 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9612 -4.5267 -1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9797 -2.0536 -2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0723 -3.4850 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7132 -2.2444 -0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1203 2.5144 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6179 2.1634 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4397 2.1037 1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2956 1.7655 1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8538 4.1060 1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6984 4.0057 2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7788 5.3146 1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9646 4.0890 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3391 5.2988 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 3
5 7 1 0
7 8 2 0
7 9 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
14 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
27 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
4 36 1 0
4 37 1 0
6 38 1 0
6 39 1 0
10 40 1 0
10 41 1 0
10 42 1 0
11 43 1 0
11 44 1 0
12 45 1 0
12 46 1 0
13 47 1 0
13 48 1 0
15 49 1 0
15 50 1 0
16 51 1 0
16 52 1 0
17 53 1 0
17 54 1 0
18 55 1 0
18 56 1 0
18 57 1 0
19 58 1 0
19 59 1 0
20 60 1 0
20 61 1 0
21 62 1 0
21 63 1 0
22 64 1 0
22 65 1 0
22 66 1 0
23 67 1 0
23 68 1 0
23 69 1 0
24 70 1 0
24 71 1 0
25 72 1 0
25 73 1 0
26 74 1 0
26 75 1 0
28 76 1 0
28 77 1 0
29 78 1 0
29 79 1 0
30 80 1 0
30 81 1 0
31 82 1 0
31 83 1 0
31 84 1 0
32 85 1 0
32 86 1 0
33 87 1 0
33 88 1 0
34 89 1 0
34 90 1 0
35 91 1 0
35 92 1 0
35 93 1 0
M CHG 4 1 -1 9 -1 14 1 27 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers