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
-2.5464 0.0463 1.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 -0.3345 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5312 -1.3556 -0.1152 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2184 -1.0073 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5820 -0.4897 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9391 -0.1136 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4361 -0.2829 1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7431 0.1023 1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5303 0.6410 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 0.7974 -0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7166 0.4292 -1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8106 -0.8778 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0870 0.8939 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7449 0.7951 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3128 -0.8594 2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5405 0.4414 1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0210 -1.1961 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2311 -0.3383 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8208 -0.7096 1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1300 -0.0355 2.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5530 0.9475 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6206 1.2286 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2841 0.5445 -2.2621 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6346 -0.2530 -0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8268 -0.7316 -1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9492 -1.9445 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9439 0.6552 -1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 1.3063 -0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8366 1.7007 -0.6706 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