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
-3.3186 -0.0890 -0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1008 0.6314 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9191 -0.0921 -0.3921 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6424 -1.3016 0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4887 -1.7684 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7582 -1.0642 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8822 -1.7307 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1277 -1.1769 1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2782 0.0972 0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2086 0.7833 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 0.1939 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9570 1.9162 -1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3280 0.9445 1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0860 -0.8763 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8095 -0.6062 0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0262 0.6632 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5312 -1.9671 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4843 -2.7826 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7926 -2.7495 1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0068 -1.6880 1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2673 0.5462 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3280 1.7923 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1334 0.7479 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8718 2.1976 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5592 2.7406 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3059 1.6928 -2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3964 1.2981 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1712 1.6628 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6762 -0.0154 1.6674 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