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
-2.3102 0.8192 0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5138 -0.1782 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4847 -0.1595 -1.0759 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1634 -0.4098 -0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6110 0.5658 -0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0276 0.3177 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7818 1.4146 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1132 1.2580 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7618 0.0519 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9965 -1.0061 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6499 -0.8884 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8053 -1.5592 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7852 0.2474 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0751 0.6456 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4652 1.8567 0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2909 0.7585 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2200 -1.3875 -0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2170 1.5749 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 2.3848 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6547 2.1386 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8103 0.0075 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4755 -1.9601 -0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0784 -1.7511 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7487 -2.2920 -0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8516 -1.5185 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 -1.8382 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9796 -0.5940 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5276 1.1448 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6071 0.3565 -0.1737 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