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
-3.8087 0.7306 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6264 -0.0081 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4897 0.3417 0.8633 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2078 -0.1340 0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 0.7422 0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1648 0.3818 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1673 1.3584 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4809 1.0475 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8285 -0.2628 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8777 -1.2612 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5616 -0.8963 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5935 0.3915 -1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8592 -1.5127 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9423 0.2730 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4542 1.7685 0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7004 0.7033 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0616 -1.1685 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5889 1.7954 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8802 2.3916 0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2443 1.8328 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8582 -0.4857 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1487 -2.2926 -0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 -1.6963 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5615 0.8525 -1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8356 1.1939 -1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4279 -0.4582 -1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9203 -2.0389 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6285 -1.6669 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2923 -1.9229 -0.6605 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