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
cid=

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
   -2.2697    0.9477    0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924   -0.1560   -0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5733   -0.2067   -1.0931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487   -0.4492   -0.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6623    0.4871   -0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0784    0.3192   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724    1.3744   -0.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3150    1.2387   -0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    0.0264   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9226   -1.0234    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -0.8610   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075    0.2053   -0.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7550   -1.4870    0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5895    0.5644    1.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7902    1.8081    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1886    1.3368    1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287   -1.4272   -0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3402    1.4611   -1.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934    2.2990   -1.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0239    2.0389   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8012   -0.0802    0.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2699   -1.9690    0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9132   -1.6888    0.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8461    1.1671   -1.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6820    0.2338    0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1996   -0.6412   -1.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8259   -1.9140    0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1569   -2.1910   -0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5582   -1.4134    1.3204 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