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
1.8404 1.2894 0.1910 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8496 -0.0288 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9235 -0.5901 -0.4846 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6047 -0.8123 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5959 -0.0172 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3516 -0.3993 1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9795 1.1825 -0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9840 1.8231 -0.2951 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2163 1.6042 -1.6870 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.5991 -1.4728 0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5147 -0.5978 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0917 -1.0082 -1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0047 -0.0578 -1.7409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3592 -0.1993 -0.3657 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.3258 -1.3939 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9629 -2.0573 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1348 -2.8745 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8445 -3.5799 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0306 1.5126 0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5672 2.6601 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8120 3.8138 1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3509 4.9752 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4835 -2.8727 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4915 -1.5831 -0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5885 -1.5782 -1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1480 -1.8281 -1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 -0.3669 -0.0138 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.5487 -0.7837 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6035 -1.0016 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9082 -1.2877 0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0130 -1.5172 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0022 1.6920 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4867 2.3512 1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8906 3.8052 1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3381 4.5905 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4945 -1.2925 -1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6869 -1.6417 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0609 -1.2992 1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2115 0.1820 1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5541 -0.8730 0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3565 -1.7222 1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7879 -2.3853 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8348 0.4776 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6130 -0.6285 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6613 -2.0441 -1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8938 -0.9650 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4124 0.9727 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6864 -0.3079 -2.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0354 -2.1715 -1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0660 -0.7353 -1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2371 -2.7066 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3682 -1.2742 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8274 -2.1623 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8137 -3.6083 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5805 -2.9411 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -4.4646 0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1336 -3.9524 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 1.2645 1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9275 1.8756 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1715 2.9517 -0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4899 2.3413 -0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5359 3.4799 1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1551 4.1008 1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9973 5.9345 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4479 4.9380 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9054 4.8854 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6915 -3.7088 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5786 -3.0407 0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3597 -2.8438 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2216 -0.7408 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5232 -1.3929 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7355 -0.6171 -2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9005 -2.3798 -2.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5699 -1.8057 -2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0532 -2.8212 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4712 -1.7266 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9125 0.0427 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3708 -1.8857 -0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7352 -0.0950 -0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2095 -0.3953 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8048 -2.1408 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7781 -2.1439 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4106 -0.5378 -0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5834 -2.0653 -1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0817 1.7910 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4420 2.1694 -0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 1.8487 2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5965 2.2684 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9869 3.9331 1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4204 4.2282 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7191 4.1900 -0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6820 5.6400 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7620 4.6102 0.1531 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