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
2.8684 -0.1614 0.0882 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7354 0.2604 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8401 1.4000 -1.1430 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5001 -0.5333 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5563 -0.0312 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 0.9997 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8586 -0.6781 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6958 -0.2112 1.0727 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0782 -1.7512 -0.5773 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.4591 -4.3072 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3624 -3.1246 -1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6521 -1.8076 -1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7035 -1.5523 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2635 0.3489 -0.3728 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.9953 2.0936 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5899 2.0466 1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4934 3.2314 1.4484 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5984 3.1801 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2718 0.5585 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0894 -0.6897 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4903 -0.4432 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0126 0.7895 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1919 -1.3361 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8677 -1.9748 0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7878 -1.0861 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4646 -1.7428 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1779 -0.6188 -0.6260 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-2.1188 -1.0582 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0965 -0.8554 -0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5183 -1.1228 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7498 -2.5133 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1411 1.4720 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3631 2.2640 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2195 3.7508 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2046 4.1834 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7211 -1.5843 -0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1014 -0.5413 -1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0112 1.3877 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7051 1.4442 0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6062 -4.8858 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3843 -4.0544 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6585 -5.0396 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9939 -3.2223 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0881 -3.1081 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 -1.0147 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1082 -1.7011 -2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2735 -1.4803 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0535 -2.3349 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3831 3.0032 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7775 2.0367 -0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8205 2.0424 1.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1457 1.0911 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8753 4.1474 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8832 3.1400 2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8258 2.1198 0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1967 3.6507 -0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4699 3.7352 0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7663 1.4559 -0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1867 0.7266 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1091 -0.8005 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5874 -1.5387 0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1068 -1.3317 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4608 -0.2466 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8309 1.6934 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0866 0.6678 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4690 0.9245 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6349 -0.8908 1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0972 -0.5785 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8674 -2.1269 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6960 -2.0661 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7811 -2.9994 0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9681 -1.0913 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7929 -0.1009 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4567 -2.7619 -0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3414 -1.8968 1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 -2.0444 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2859 -0.2972 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7615 -1.5028 -1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0072 0.1877 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7960 -0.3608 0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1507 -0.9623 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0109 -3.2189 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6609 -2.5249 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7577 -2.8454 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1862 1.6559 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4971 1.7386 -2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4490 2.0521 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1756 1.9871 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 4.2200 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8596 4.1283 -0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6270 3.6360 -1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7616 4.0200 0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1934 5.2820 -0.4878 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