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
-3.7844 1.0057 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5717 0.2658 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4745 1.0990 0.0599 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1869 0.8573 0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 0.3597 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0720 0.0703 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6220 0.2974 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9444 0.0184 1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7783 -0.5055 0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2631 -0.7398 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9417 -0.4553 -1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3650 -0.9947 -0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9207 -0.0868 1.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6920 0.4017 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4838 1.2588 -1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8560 1.9760 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1216 1.0753 1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3824 0.1245 -1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 0.7055 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3565 0.2041 2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8086 -0.7127 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9158 -1.1506 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5801 -0.6583 -2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0153 -1.8267 -0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3150 -1.3125 -0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5645 -0.7148 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9994 0.8266 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2948 -0.8728 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9655 -0.5155 1.5872 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