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
-2.4688 0.6796 -0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4010 0.0902 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 0.5987 1.2899 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0399 0.5887 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4550 0.0876 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8694 0.0445 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7670 0.5358 0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1285 0.5012 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 -0.0431 -0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6414 -0.5439 -1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 -0.5018 -1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7280 0.3394 1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1893 -1.4080 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3991 -0.0688 -1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 1.5117 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4573 1.1771 -1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5598 1.0072 1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2202 -0.3179 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4781 0.9846 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8317 0.9044 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5945 -0.0968 -1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9745 -0.9719 -2.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5602 -0.8996 -2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6021 0.3129 2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1524 1.3208 0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4619 -0.4496 0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0277 -1.9284 0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1504 -1.7280 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2701 -1.7270 0.8472 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