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
-3.9709 -0.2260 -0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5600 0.2359 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6250 -0.4835 -1.0347 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2638 -0.1498 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 -0.9044 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9712 -0.5981 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7659 -1.4670 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1101 -1.2756 0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6948 -0.1544 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9438 0.7296 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5881 0.5125 -0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2300 -0.0959 1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4834 1.7104 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3616 0.3326 -1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9634 -1.2947 -0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5664 -0.0195 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1047 0.7454 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1483 -1.7980 0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2669 -2.3450 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6838 -1.9950 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7522 0.0446 0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3808 1.6157 -0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0073 1.2209 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8912 -1.1442 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4998 0.6176 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1597 -0.0035 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0178 1.9058 -1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9542 2.2363 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4341 2.0470 -0.6693 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