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
-2.8820 -0.9287 0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5150 0.3166 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4838 1.0413 0.7613 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2062 0.5789 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6838 0.6159 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0701 0.1517 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5732 -0.3671 1.3482 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9069 -0.7894 1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7525 -0.7034 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2375 -0.1811 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9226 0.2306 -0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2699 -0.0639 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7588 1.2141 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0238 -1.5737 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5964 -1.5209 0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4515 -0.6561 1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0572 0.1859 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3618 1.0136 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9517 -0.4546 2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2853 -1.1914 2.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7915 -1.0387 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9049 -0.1144 -1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5300 0.6443 -1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4135 -0.7493 -1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1786 -0.6359 -1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2228 0.8197 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5402 0.6498 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0197 1.3543 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4668 2.1521 -0.3171 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