Monomers
2-Methylprop-2-enoate;triphenylstannanylium
Identifiers
IUPAC name
2-methylprop-2-enoate;triphenylstannanylium
InchI
InChI=1S/3C6H5.C4H6O2.Sn/c3*1-2-4-6-5-3-1;1-3(2)4(5)6;/h3*1-5H;1H2,2H3,(H,5,6);/q;;;;+1/p-1
InchI Key
JNRFAGAIHOKUES-UHFFFAOYSA-M
SMILES
c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1.CC(=C)C(=O)[O-]
Canonical SMILES
CC(=C)C(=O)[O-].C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES
CC(=C)C(=O)[O-].C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C22H20O2Sn
Heavy Atom Count
25
Molecular Weight
435.111
Exact Molecular Weight
436.0485
Valence Electrons
124
Radical Electrons
0
tPSA
40.13
MolLogP
1.5152
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
3
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
3
MOL File
RDKit 3D
45 46 0 0 0 0 0 0 0 0999 V2000
-3.0077 -3.7199 0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5257 -2.5403 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7154 -1.5283 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3339 -1.6418 -0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8422 -2.8351 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6372 -3.8641 0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0804 -0.0777 -0.7536 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.7827 1.9141 -0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5470 2.4683 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9544 3.7559 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6032 4.4650 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8377 3.9043 -1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4255 2.6137 -1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0249 -0.3411 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5023 -0.4258 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8475 -0.5968 1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7028 -0.6803 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2282 -0.5957 -1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8648 -0.4230 -1.6136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2666 -0.1713 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1548 0.0856 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6522 1.3277 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0042 -1.0359 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2091 -0.7877 0.6440 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4704 -2.3000 0.3785 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.6632 -4.5353 1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5891 -2.3974 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1061 -0.5757 -0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2378 -2.9462 0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2139 -4.8052 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0379 1.9201 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7818 4.2099 2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9292 5.4817 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3474 4.4949 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5901 2.1522 -2.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8369 -0.3613 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1915 -0.6596 2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7537 -0.8140 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9020 -0.6619 -2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 -0.3533 -2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8283 -0.2506 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7174 0.6337 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3999 -1.1503 -0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0411 2.1633 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6805 1.4854 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
4 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
7 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
20 21 1 0
21 22 2 3
21 23 1 0
23 24 2 0
23 25 1 0
6 1 1 0
13 8 1 0
19 14 1 0
1 26 1 0
2 27 1 0
3 28 1 0
5 29 1 0
6 30 1 0
9 31 1 0
10 32 1 0
11 33 1 0
12 34 1 0
13 35 1 0
15 36 1 0
16 37 1 0
17 38 1 0
18 39 1 0
19 40 1 0
20 41 1 0
20 42 1 0
20 43 1 0
22 44 1 0
22 45 1 0
M CHG 2 7 1 25 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers