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
2.3332 1.1056 0.4769 O 0 0 0 0 0 1 0 0 0 0 0 0
1.9537 -0.1791 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9179 -1.0176 0.0546 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6325 -0.7089 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5174 0.1674 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 1.4478 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8202 -0.4919 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9008 0.1720 -0.2423 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9432 -1.8219 -0.5991 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.6489 -3.5735 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1437 -3.4589 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7074 -2.0274 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1969 -1.9114 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3903 0.1258 -0.3143 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.1699 0.8236 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3983 0.2307 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3425 -1.2935 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5683 -1.8760 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0611 1.5686 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9707 2.7408 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9408 3.8445 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7338 4.9556 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7240 3.6909 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3935 3.3539 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6344 3.1797 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2303 2.0545 1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 0.2365 0.1717 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.4228 -0.1544 -1.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2710 -1.3685 -1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0971 -1.2267 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0573 -0.0707 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6854 -0.9636 0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6344 -2.2246 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9116 -2.9989 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0726 -3.3703 1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4851 -1.5718 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6452 -1.1584 -1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2746 2.0866 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5170 1.9702 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0574 -4.0329 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9980 -4.1774 -0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1100 -2.5489 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8224 -3.7697 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6882 -4.1068 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 -1.4082 0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0399 -1.6833 -1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2019 -2.2623 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2618 -2.5900 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2763 1.9415 0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1474 0.6184 1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4491 0.5603 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2906 0.5977 0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3499 -1.5693 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4305 -1.6038 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2747 -2.3664 -1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0985 -2.5698 0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2900 -1.0598 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7595 1.8632 -2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0722 1.1289 -1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0644 3.1482 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1462 2.4098 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8534 4.1848 -1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9693 3.3997 -0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 5.9555 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3266 4.7748 1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6601 5.0171 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4448 2.8562 -0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1043 4.5978 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6696 3.8957 0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0349 4.1669 -1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4163 2.4334 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8398 4.1148 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6023 2.8430 -0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6763 2.2953 1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0795 1.9159 1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0009 0.7286 -1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7841 -0.4302 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5554 -2.2115 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8810 -1.6734 -2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4857 -1.1391 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7045 -2.1495 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6936 -0.1164 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5474 0.9125 0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7379 -0.1361 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8172 -1.1713 1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5752 -0.3911 0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6708 -1.9264 -1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7387 -2.8282 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 -2.3643 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8934 -3.9265 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5254 -4.3951 1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0953 -3.3302 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8306 -2.7085 1.8330 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