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
-3.8917 0.2239 0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6275 0.2029 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5649 0.6129 0.8011 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2476 0.7048 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6608 -0.1866 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0489 -0.1348 0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9189 -1.1325 0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2430 -1.1354 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7614 -0.1500 -0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9216 0.8406 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5733 0.8418 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7281 1.0625 -1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3318 -1.2078 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7409 0.2340 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9609 1.0730 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9585 -0.7400 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0242 1.5330 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3170 -1.0103 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5827 -1.9420 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8955 -1.9230 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8107 -0.1293 -0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2879 1.6269 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9292 1.6222 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7264 0.9294 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5644 2.1256 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9360 0.6939 -1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0997 -1.6105 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -1.8247 0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3126 -1.2005 -0.9211 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