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
-3.9392 -0.0695 -0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4955 0.1257 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6916 -0.5649 -0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3301 -0.6997 -0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4081 -0.1084 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8600 -0.2005 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5587 0.4557 1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9450 0.3944 1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6764 -0.3324 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9860 -0.9846 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5998 -0.9252 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1553 1.6110 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3381 -0.4156 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0300 -1.1525 -0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6651 0.2587 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0434 0.5523 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1575 -1.2906 -1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0691 0.5059 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9857 1.0244 1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4586 0.9149 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7407 -0.3966 0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5142 -1.5791 -1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1305 -1.4603 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9191 2.0015 0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3291 1.8295 -0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0304 2.2050 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0896 0.4154 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3027 -0.8782 1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5930 -1.2363 1.3337 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