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
    3.4498   -0.3408   -0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1045    0.8659    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    0.6555    1.1648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865    0.3837    0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4808    0.2919   -0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662    0.0199   -1.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8903   -0.1783   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6487   -0.0793    0.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.1936    1.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1869   -0.4634   -1.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2730   -0.6579   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4067   -0.7493    0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685   -0.0819   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7111   -1.1666   -0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8983    1.1132    1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660    1.7782   -0.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.4431   -1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9195   -0.0504   -2.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5112   -0.2296    1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2537    0.2624    2.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2651   -0.5189   -2.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2756   -0.6188    0.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2436   -0.8721   -0.7886 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