Monomers

4-Ethoxystyrene

Identifiers

IUPAC name
1-ethenyl-4-ethoxybenzene
InchI
InChI=1S/C10H12O/c1-3-9-5-7-10(8-6-9)11-4-2/h3,5-8H,1,4H2,2H3
InchI Key
OBRYRJYZWVLVLF-UHFFFAOYSA-N
SMILES
CCOc1ccc(cc1)C=C
Canonical SMILES
CCOC1=CC=C(C=C1)C=C
Isomeric SMILES
CCOC1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H12O
Heavy Atom Count
11
Molecular Weight
148.205
Exact Molecular Weight
148.0888
Valence Electrons
58
Radical Electrons
0
tPSA
9.23
MolLogP
2.7283
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

 23 23  0  0  0  0  0  0  0  0999 V2000
   -4.2243    0.6555   -0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7411    0.8607   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1221   -0.4079   -0.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7359   -0.5000   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245    0.6414   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    0.5959    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736   -0.6032    0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857   -1.7641    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0836   -1.7040    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5100   -0.6777    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2676    0.3890    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7240    1.4178   -1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6200    0.6877    0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3983   -0.3169   -0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930    1.4228   -1.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4723    1.4438    0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340    1.6226   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9714    1.5481    0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8217   -2.7115    0.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -2.6148    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9685   -1.6581    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9376    1.3921    0.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3678    0.2811    0.2740 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  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  3
  9  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers