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
-3.8129 0.0247 1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5072 -0.1752 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4887 -0.3180 1.3422 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1525 -0.5182 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6161 0.4382 0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0226 0.2533 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7719 1.3384 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1126 1.2319 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7710 0.0294 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0715 -1.0424 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7109 -0.9214 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3573 1.0671 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7023 -1.3469 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6486 -0.4193 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7198 -0.4864 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0287 1.1106 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2507 -1.4972 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1811 1.4126 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2665 2.2989 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6020 2.1274 -0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8235 0.0085 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5977 -1.9798 0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2009 -1.7893 0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3717 1.2189 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1537 1.9136 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6092 0.9435 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0018 -1.3682 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7262 -1.2383 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7184 -2.3165 0.0263 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