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
-2.7557 -0.6297 1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6453 0.1563 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4314 0.8448 -0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1837 0.2144 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8810 0.9717 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2137 0.3939 -0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4418 -0.9598 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7497 -1.4673 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7919 -0.5714 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5926 0.7818 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2918 1.2626 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7520 1.2034 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7922 -0.7880 -1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4263 -1.6839 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8554 -0.6939 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2290 -0.1492 2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1578 -0.8794 -0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 2.0578 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6326 -1.6734 -0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9408 -2.5344 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8049 -0.9418 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3823 1.5109 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0794 2.3185 -0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3783 2.0135 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7081 0.7885 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7661 1.6539 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7842 -0.9970 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1607 -1.7877 -0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5126 -0.4148 -1.9748 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