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
1.3301 -1.5936 -1.0087 O 0 0 0 0 0 1 0 0 0 0 0 0
1.6631 -0.8072 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7831 -0.9711 0.6111 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7712 0.2188 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5231 0.3198 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 1.4575 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3814 -0.8488 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0081 -1.9093 0.4445 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6113 -0.8535 -0.7446 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.7819 -2.5310 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6558 -2.9285 0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3875 -2.1485 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6366 -0.6743 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 0.4900 0.1304 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.9008 -0.4095 -0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8163 -0.7171 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1165 -1.3557 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9404 -2.6530 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3887 2.2757 1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0588 3.4843 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3645 3.3464 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8230 4.4879 -0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1313 4.9492 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6450 4.2165 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2349 2.8243 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7412 2.0807 1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1958 0.1115 0.7639 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.5936 -0.0171 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7785 -0.4839 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9698 -0.5304 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2248 -0.9752 0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8306 -1.1764 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3334 -2.5637 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5353 -3.4063 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1692 -4.8153 -0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6305 -0.0729 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3259 1.1662 0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8274 1.5511 -1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2663 2.3430 -0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4205 -1.7648 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4758 -3.3989 -0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4410 -2.1928 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4867 -4.0050 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9518 -2.7335 1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1153 -2.3260 -0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6003 -2.5142 0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9772 -0.5474 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4864 -0.3403 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3862 0.2754 -1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5941 -1.3393 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2903 -1.3222 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0953 0.2489 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7338 -0.6777 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6810 -1.5712 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8566 -2.5485 -1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8560 -3.2740 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0747 -3.2310 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4255 2.3707 1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2685 2.2881 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7463 3.5248 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 4.3957 1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5518 2.3927 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9969 3.3671 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3612 5.4212 -0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9198 4.5877 -0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5420 4.2477 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3034 5.5916 -0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5691 4.2948 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9526 5.6350 -0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7619 4.7288 1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 4.1134 1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3689 2.8246 -0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0377 2.2460 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5712 1.9956 2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 2.5908 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9066 0.9790 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -0.6781 -1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9928 0.2710 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5684 -1.4602 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6792 -1.1730 -1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1197 0.5193 -0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7774 -0.0813 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8583 -1.4950 -0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9803 -1.6562 1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5383 -1.3036 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4260 -0.7596 -0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8473 -3.0145 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6863 -2.4766 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1226 -2.9221 -1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2516 -3.4564 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6048 -5.2385 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6206 -4.9013 -1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1124 -5.3875 -0.9350 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