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
-3.9089 -0.4036 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5526 0.1147 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5811 -0.3458 -1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2254 -0.0870 -1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6121 -0.7818 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0195 -0.4702 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8856 -1.2533 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2217 -0.9970 0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7953 0.0649 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9817 0.8552 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6211 0.5727 -1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6296 1.6276 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3806 -0.3746 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9266 -0.4842 -1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6718 0.3294 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1045 -1.3619 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1317 0.7562 -1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2319 -1.6233 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4605 -2.0874 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8213 -1.6525 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8514 0.2187 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4129 1.6858 -1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0336 1.2212 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9341 2.0253 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4116 1.9713 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6483 1.9967 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3520 -0.3430 1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0008 0.2519 1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7525 -1.4257 1.0897 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