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
   -3.1098    1.0044   -0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1153    0.2704    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2744   -0.8399    0.5354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052   -0.6823    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1019   -1.8202    0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2553   -1.7227    0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9072   -0.5158    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    0.5888    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2792    0.5162    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3442   -0.4450   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0260    0.6596   -0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1163    0.8562   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298    0.6477   -1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9920    2.0973   -0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278    0.9588    1.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1495   -0.0750    0.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5894   -2.7869    0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869   -2.6015    0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    1.5583   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8757    1.4377    0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9051   -1.3925   -0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5635    1.6279   -0.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1077    0.6582   -0.3692 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