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
-2.6898 -0.8390 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 -0.2156 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6894 0.9037 -0.0466 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3555 0.8884 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5506 0.5442 -0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9785 0.4798 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4191 0.8008 1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7948 0.7406 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6496 0.3657 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1997 0.0435 -0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8599 0.1023 -1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8835 0.2462 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 -1.2710 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6861 -0.0159 2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8631 -1.5600 1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6669 -1.3375 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1321 1.1638 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2296 0.2863 -1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7649 1.1028 1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1154 0.9996 2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7096 0.3300 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9334 -0.2494 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4722 -0.1414 -2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1997 1.1791 -0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6316 -0.5266 -0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8211 0.4774 -1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6839 -2.1283 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0011 -1.5873 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8750 -0.7824 -2.0327 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