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
-3.8627 -0.0859 0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6381 0.3128 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5099 -0.0320 0.7388 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2025 0.1872 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7518 -0.6337 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1489 -0.5142 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 -1.4211 0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 -1.3097 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8333 -0.2677 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9090 0.6488 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5716 0.5201 -0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7373 1.7749 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6098 -0.5356 -1.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7652 0.4468 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6233 0.1630 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9419 -1.2005 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0194 1.0458 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4979 -1.4965 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7558 -2.2509 1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1155 -2.0580 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8867 -0.2250 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2411 1.4649 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9034 1.2608 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7343 2.2031 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9957 2.2997 0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6172 2.0341 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2855 -1.5508 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6537 -0.6262 -1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9410 -0.1543 -2.0663 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