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
-2.6160 1.3375 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6702 0.0268 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6078 0.0828 0.9496 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 0.2339 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7259 -0.2144 1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0901 -0.1003 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1103 -0.6202 1.4102 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4015 -0.5172 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7290 0.0732 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7191 0.5806 -1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3997 0.4960 -0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3145 -1.1142 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9886 -0.2329 0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6144 1.6148 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8557 1.2191 -1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2645 2.1305 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1629 0.7145 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 -0.7053 2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8745 -1.0972 2.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1997 -0.9262 1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7687 0.1492 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9713 1.0507 -1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 0.9144 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4129 -1.6504 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1273 -0.6993 -1.9846 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1663 -1.8294 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5306 0.7323 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6183 -0.8518 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9210 -0.7976 1.5813 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