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
2.4613 -1.9689 0.2071 O 0 0 0 0 0 1 0 0 0 0 0 0
1.3704 -1.2100 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9135 -1.3781 -1.3289 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7378 -0.2206 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4223 0.4495 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4135 1.7424 -0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5263 -0.3677 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4863 0.1999 -0.9810 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5896 -1.7344 -0.2602 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.7345 -3.9205 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7852 -3.0599 -1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1290 -1.7191 -1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6762 -1.9002 -0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 0.0518 -0.3862 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.3126 0.2237 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9929 -1.0422 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4816 -0.9554 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9062 0.2053 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9404 1.5343 0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7109 2.9136 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4771 3.9726 0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9692 3.7581 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7832 -2.5974 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7437 -2.7837 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6271 -1.7717 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8922 -1.8103 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6530 -0.3193 -0.5729 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.5307 -0.6359 -1.5621 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4360 -1.5338 -0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7599 -0.9846 0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4587 0.3503 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1897 1.5435 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0590 2.1627 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3059 3.4637 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5455 4.1034 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4732 0.5568 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3454 -0.6688 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2511 2.2223 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 2.3777 0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1357 -3.3753 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7159 -4.3090 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3766 -4.8115 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2462 -3.5399 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8464 -2.8770 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1532 -1.0748 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6172 -1.1536 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6312 -2.4280 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1110 -2.4726 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6566 0.4120 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6577 1.0855 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6195 -1.3381 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6626 -1.8562 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 -1.8974 0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7825 -0.7831 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9571 -0.0061 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7916 1.1754 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2812 0.0935 1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 1.2773 0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7015 1.4553 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0146 2.9109 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3563 3.1622 0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1918 4.0428 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2800 4.9661 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4506 4.7526 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3148 3.1032 1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3102 3.4238 -0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2641 -1.5979 -0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4150 -2.8049 -1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5915 -3.3344 -0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2380 -2.6262 1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3809 -3.8190 0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9319 -1.9985 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9933 -0.7421 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4213 -2.7631 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6078 -1.5860 -1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3025 -1.1718 -2.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9971 0.3163 -1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3595 -1.7953 -1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8843 -2.4875 -0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4676 -1.6939 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8985 -0.8910 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7887 0.5794 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7846 1.1753 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3877 0.3284 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 1.3830 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 2.2681 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8396 2.4086 -1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8954 1.4737 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4474 3.2712 1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4213 4.1245 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3612 3.9937 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3892 5.1783 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8090 3.6241 -1.0327 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