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
-2.2482 0.3515 1.7572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2140 0.0579 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8823 -0.0095 -0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4101 -0.2521 -1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8561 -0.3009 -1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9490 -0.1126 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2751 -0.1976 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3585 -0.0320 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2162 0.2299 0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9407 0.3184 1.4348 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8240 0.1495 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8307 -1.3106 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0204 1.0662 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9293 -0.3218 2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2502 0.2536 2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5653 1.4153 1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1110 -0.4222 -2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1274 -0.5072 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3914 -0.4070 -2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3794 -0.1071 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0671 0.3653 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7785 0.5262 2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8475 0.2332 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2430 -2.1209 0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9008 -1.3459 0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7475 -1.4545 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1047 0.8368 -0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8453 2.0891 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7084 1.0090 -1.5851 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