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
2.8466 1.2232 0.5477 O 0 0 0 0 0 1 0 0 0 0 0 0
1.6806 0.4837 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5676 -0.3727 1.5276 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6209 0.7433 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5633 -0.1218 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7299 0.4299 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4554 -1.5611 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6392 -2.1311 -0.4583 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5609 -2.3706 -0.0472 O 0 0 0 0 0 1 0 0 0 0 0 0
-0.9930 4.8150 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6688 3.6223 0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5673 2.3519 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2446 1.2281 0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0696 -0.6509 -0.0793 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.5914 -1.4029 -1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9759 -0.9698 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3525 -1.4131 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3282 -2.9109 0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8699 -1.5660 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9206 -0.5445 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2550 -1.2336 -0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6279 -1.8259 0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4184 5.1152 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8504 3.7823 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8586 2.6798 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4238 1.4047 -0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1403 -0.2732 -0.1337 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.7736 -0.0574 0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8547 -0.7899 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1563 -0.5446 0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3173 -1.2349 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5577 -2.0841 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0055 -2.5009 -1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2859 -2.7377 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7378 -3.1489 0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0678 0.5719 -1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3725 1.8196 -0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9014 1.4953 0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5842 -0.2096 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 5.1049 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3391 5.6797 0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7029 4.4969 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5215 3.4801 1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2756 3.8616 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2599 2.4879 -0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5535 2.2025 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0425 1.1340 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6801 1.4887 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4172 -1.0251 -2.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5348 -2.4892 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6835 -1.4519 -1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1267 0.1104 -1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7373 -0.9336 1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3965 -1.0808 0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8952 -3.3361 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9436 -3.1533 1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3334 -3.3345 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9058 -2.4027 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1588 -1.9993 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9707 0.2746 0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6747 -0.1732 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0392 -0.5118 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2118 -2.0745 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7279 -2.0240 0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4255 -1.0880 1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0659 -2.7430 0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5992 5.0322 1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2705 5.6848 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0374 5.7280 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9533 3.8128 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8081 3.5013 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8464 2.5949 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1431 2.8665 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5517 1.5078 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4500 1.2275 -0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7578 -0.4595 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0498 1.0258 0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9802 -0.3988 -1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6287 -1.8697 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2992 0.5403 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0850 -0.9685 1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0711 -1.6130 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8347 -0.5358 -0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9484 -2.0943 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3678 -1.9403 -2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0697 -2.8989 -0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6569 -1.7238 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1201 -3.4920 -1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6347 -3.5548 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 -1.7843 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8099 -4.0420 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1582 -3.4379 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3255 -2.3186 0.9779 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