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
-2.1161 -0.2789 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2046 0.2217 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8901 0.5061 -0.6222 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1467 1.4405 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1237 1.3728 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0024 0.3137 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3662 0.4127 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3074 -0.5038 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 -1.6195 -0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 -1.7911 -1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6624 -0.8151 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8432 -0.8610 -1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0935 1.4494 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8916 -1.3695 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1072 -0.1734 1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3650 0.2761 1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7004 2.3151 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5596 2.2251 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7080 1.2925 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3569 -0.3414 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6594 -2.3514 -1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2880 -2.6655 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6477 -0.9604 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6042 -0.4346 -1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3604 -1.6200 -0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0330 -1.3446 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2020 1.9293 0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0910 1.2213 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5713 2.1541 -0.9850 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