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
-3.9516 -0.1025 0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5936 0.0118 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6824 -0.7400 0.7751 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3530 -0.7432 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5903 -0.2151 1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9648 -0.2040 0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4299 -0.7150 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7818 -0.6564 -0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6516 -0.0690 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2485 0.4621 1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9085 0.3811 1.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6141 -0.5030 -1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0991 1.4389 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4259 0.8948 0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5365 -0.8869 0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8884 -0.3981 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1318 -1.1759 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3338 0.2182 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7181 -1.1753 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1137 -1.0711 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7191 0.0039 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9512 0.9197 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5770 0.7992 2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6268 -0.3202 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3624 -1.5883 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8629 0.0443 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5577 1.7291 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3774 1.5070 -0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9246 2.1537 -0.3236 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