Monomers
t-Butoxystyrene
Identifiers
IUPAC name
2-[(2-methylpropan-2-yl)oxy]ethenylbenzene
InchI
InChI=1S/C12H16O/c1-12(2,3)13-10-9-11-7-5-4-6-8-11/h4-10H,1-3H3
InchI Key
FXRQXYSJYZPGJZ-UHFFFAOYSA-N
SMILES
CC(OC=Cc1ccccc1)(C)C
Canonical SMILES
CC(C)(C)OC=CC1=CC=CC=C1
Isomeric SMILES
CC(C)(C)OC=CC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H16O
Heavy Atom Count
13
Molecular Weight
176.259
Exact Molecular Weight
176.1201
Valence Electrons
70
Radical Electrons
0
tPSA
9.23
MolLogP
3.4724
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
29 29 0 0 0 0 0 0 0 0999 V2000
-2.5672 -1.5344 -0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4452 -0.0639 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7927 0.5926 0.2667 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5366 0.3437 0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5181 0.6480 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8916 0.4221 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9047 0.7898 -0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2372 0.6166 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5566 0.0559 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5708 -0.3217 1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2280 -0.1431 1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7796 0.0430 -2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8735 0.4635 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6308 -1.8982 0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8024 -2.1369 -1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3562 -1.6382 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4213 -0.1031 1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3635 1.0980 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6841 1.2437 -1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0183 0.9157 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5997 -0.0875 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7819 -0.7703 2.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4614 -0.4436 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 -0.5827 -2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5281 -0.3295 -2.8626 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5505 1.0741 -2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4777 -0.0786 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3006 0.2891 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8868 1.5360 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 3
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
2 12 1 0
2 13 1 0
11 6 1 0
1 14 1 0
1 15 1 0
1 16 1 0
4 17 1 0
5 18 1 0
7 19 1 0
8 20 1 0
9 21 1 0
10 22 1 0
11 23 1 0
12 24 1 0
12 25 1 0
12 26 1 0
13 27 1 0
13 28 1 0
13 29 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers