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
-2.4397 -1.2265 -1.7069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0947 -0.1995 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8823 0.4713 -0.9435 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4534 1.4321 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6798 1.5924 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8249 0.7313 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7982 -0.3665 -0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9131 -1.1952 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0530 -0.8693 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0962 0.2313 0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0137 1.0317 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1791 0.8510 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9558 -0.9257 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4844 -1.5262 -2.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0783 -0.8030 -2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8857 -2.1398 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2516 2.1785 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8026 2.4517 1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9421 -0.6737 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8869 -2.0586 -1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9603 -1.4619 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0177 0.4697 1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0211 1.9002 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8927 1.8168 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3999 1.0551 0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1128 0.5341 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2217 -1.7327 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7298 -0.2014 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9478 -1.3669 0.9469 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