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
3.0749 -0.3847 0.4374 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7473 -0.0395 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3750 0.5568 1.5885 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8060 -0.3812 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5820 0.0690 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1803 0.9225 -1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2613 -0.4332 0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4228 -0.0606 1.2161 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6262 -1.3247 1.7882 O 0 0 0 0 0 1 0 0 0 0 0 0
4.9312 -1.8715 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1548 -0.5721 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7201 -0.7886 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9514 0.4967 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0943 0.3088 -0.5851 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.0820 1.9407 -1.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0002 2.6781 -0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2712 3.2505 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 4.2353 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1023 -1.6027 -0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0428 -1.5502 0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7869 -2.8605 0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5973 -3.1367 -0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2431 -2.6827 0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6666 -1.7510 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2580 -1.3101 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8219 -0.3786 -1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1866 0.3262 -0.7599 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.7639 -1.1265 -0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7631 -0.8783 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8443 -1.9405 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8681 -1.7557 1.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 2.3877 -0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5273 3.2769 -0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2424 3.0527 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3509 3.3836 1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1738 0.0020 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8063 -1.4983 -0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7282 1.3333 -1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1826 1.2387 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6229 -2.2634 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0223 -1.6567 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6836 -2.6182 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1926 -0.3870 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6360 0.2783 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7093 -1.0651 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3045 -1.5676 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 0.7984 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4223 1.2595 -0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7034 1.5121 -2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3254 2.6142 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7125 1.9134 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6093 3.4048 -1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0107 3.7903 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8239 2.4531 1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5406 3.7982 -0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 5.1849 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3426 4.5079 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3613 -2.3917 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6277 -1.8260 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4306 -1.4190 1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7683 -0.7525 0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4917 -2.7449 1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0845 -3.7074 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0511 -3.8665 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5781 -3.5763 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8285 -2.2005 -0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9959 -3.7538 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9181 -2.4767 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3683 -2.6381 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6197 -2.2944 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2806 -0.8246 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6102 -2.2000 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1466 -0.8160 0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5257 0.4622 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8071 -0.9638 -2.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3969 -2.1495 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2651 -0.9633 -1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2047 0.1339 0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2120 -0.9863 1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4212 -2.9558 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3356 -1.8784 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8947 -0.6810 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8678 -2.0113 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6518 -2.4358 2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4121 2.6767 -0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2155 2.6212 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1771 3.0144 -1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2590 4.3420 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0943 3.7565 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5927 2.0015 0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5167 2.7005 1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0512 4.4484 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9595 3.2679 2.5485 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