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
-3.9064 0.0955 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6079 0.3811 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5528 0.1772 -0.7796 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2163 0.3389 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5945 -0.6618 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0150 -0.5555 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8318 -1.6880 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1715 -1.6143 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7960 -0.4797 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0106 0.6365 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6446 0.5793 0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5950 1.8430 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4634 -0.5148 1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8126 -0.9050 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7516 0.0967 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9867 0.8364 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1270 1.2887 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2123 -1.6126 -0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3750 -2.6005 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8244 -2.4941 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8594 -0.4727 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4277 1.5676 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0378 1.4729 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8284 1.9337 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5872 2.0608 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3233 2.4549 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0368 -1.4556 1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3976 -0.7180 1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8616 0.0095 2.2058 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