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
-3.7936 -0.3517 0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6670 -0.0133 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4673 -0.0908 0.6857 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2141 0.1355 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8339 -0.3285 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2102 -0.1555 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2127 -0.6865 1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5384 -0.5527 0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8446 0.1325 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8644 0.6680 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5362 0.5248 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7537 -0.9915 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8217 1.4098 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7191 -1.4020 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6421 0.3027 1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7787 -0.1625 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0700 0.6854 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6689 -0.8957 1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9938 -1.2317 2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3324 -0.9796 1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 0.2517 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1596 1.2019 -1.9414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7941 0.9710 -1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3952 -1.9726 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8320 -1.0498 -1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2180 -0.5925 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7674 2.0616 0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9484 1.5879 -1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7826 1.5244 -1.0560 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