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
2.5779 -1.1359 0.3360 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8628 -0.0753 -0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3896 1.0534 -0.2788 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5069 -0.3573 -0.8088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5569 0.0695 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2348 0.6084 1.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9591 -0.1117 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8808 0.2410 0.5579 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3236 -0.6797 -1.4328 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.4814 5.0414 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9805 3.6289 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 2.6209 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4900 1.2518 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0642 -0.3275 -0.0915 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.9775 0.0700 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8707 -1.0445 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2979 -0.6703 0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2109 -1.7898 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7292 -2.2885 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4320 -2.9652 0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6386 -2.1518 0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6349 -2.0078 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3736 -1.7710 -1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8658 -1.6385 -1.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5957 -2.2123 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1049 -2.1000 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4864 -0.0417 0.2869 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.4444 0.3978 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4892 -0.2618 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3419 -1.7466 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4817 -2.3631 -0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9925 1.4563 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 2.7354 1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6013 3.6953 1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2609 3.9472 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4040 0.1661 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4022 -1.4400 -1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9856 0.9248 1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7975 0.7367 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8514 5.3543 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9525 5.1042 0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3630 5.6993 0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5244 3.4329 -1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6096 3.4304 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2901 2.7317 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1218 2.8219 -0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2036 1.1575 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0066 1.2588 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3366 1.0196 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0490 0.1507 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8178 -1.1850 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6033 -1.9944 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6298 0.2499 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3102 -0.5064 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1717 -1.7795 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7021 -2.7466 0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3050 -1.7624 -1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4142 -2.2429 -1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1338 -2.9231 -0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7440 -3.0061 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7694 -3.9673 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1439 -2.6869 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3625 -1.1500 1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0493 -2.9781 -0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2227 -1.4207 -1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4974 -1.4295 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6277 -2.8275 -1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8339 -1.2386 -0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6224 -1.2939 -2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3053 -2.1830 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5656 -0.5750 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9636 -3.2307 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1453 -1.5724 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4420 -2.6853 -0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0924 -2.5507 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 -0.0895 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6298 1.4661 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5097 -0.0028 0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3542 0.1253 1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2211 -2.1390 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4023 -2.0887 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5385 -2.2974 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7030 -3.4631 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3208 -1.8393 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7606 1.0498 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5096 1.6454 -0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1087 2.5868 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2452 3.1740 0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2924 4.6361 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3677 3.1920 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4005 5.0545 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5291 3.6444 -0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2125 3.4054 -0.1431 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