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
2.8620 1.0640 -0.6541 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7013 0.5585 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6598 0.3683 1.1868 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5226 0.2498 -0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5493 -0.2537 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0611 -1.4580 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0538 0.6039 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9694 0.1981 1.8206 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4978 1.8691 1.1763 O 0 0 0 0 0 1 0 0 0 0 0 0
5.0158 -1.1193 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6496 -1.5993 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5601 -0.6302 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2477 -1.2419 0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4222 0.0180 -0.3787 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-2.3337 -1.0104 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1869 -2.3957 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5657 -3.0376 -0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0308 -3.1264 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4720 2.0465 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7020 2.8562 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4623 4.2738 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8394 4.7913 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2770 4.3473 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0997 4.2862 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6219 2.8564 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.9691 0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2305 -0.0947 0.6028 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.8338 -0.7458 1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6478 -1.8383 1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2256 -1.2881 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0542 -2.3342 -0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1037 -1.5169 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4075 -0.8437 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3856 -1.7902 -1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6640 -2.8992 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7365 -0.4822 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1826 1.1802 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8390 -1.8045 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6942 -2.0934 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7247 -1.9571 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0367 -0.5227 -1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4348 -0.4717 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4944 -2.6029 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6173 -1.7243 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6834 0.3098 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5663 -0.5054 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1110 -2.2642 -0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2539 -1.3222 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0397 -0.3889 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5884 -1.0763 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4828 -2.9911 -0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8549 -2.2587 -1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2555 -2.4030 -1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5451 -4.0920 -1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2349 -3.5118 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9081 -3.8310 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4189 -2.1750 0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5169 2.1302 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3870 2.5378 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6535 2.4726 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8280 2.8778 -1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 4.9354 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3215 4.2170 1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 5.9077 -0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7240 4.4775 0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0076 4.4077 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3735 3.7270 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4800 5.4107 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0066 4.0491 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0034 4.5223 1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8170 4.9824 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6123 2.5684 -1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6505 2.7437 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3843 2.1066 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4058 2.2154 1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5201 0.1016 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4513 -1.1644 2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5183 -2.0629 1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0870 -2.7576 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3726 -0.9498 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8877 -0.4408 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4500 -3.2129 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8531 -2.6640 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4933 -1.8317 -1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5990 -1.9498 -1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3246 -2.3079 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1585 -0.0646 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8069 -0.3513 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0748 -2.1507 -2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3529 -1.2399 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6919 -3.2898 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8967 -3.6682 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6793 -2.4290 0.7290 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