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
    3.2944    0.2555   -0.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1342    0.1120    0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0718   -0.7402    0.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7638   -0.5432    0.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2946    0.5184   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0398    0.6862   -0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727   -0.2249    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5143   -1.3128    0.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1801   -1.4571    1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3918   -0.1000   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8861    0.8834   -0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3037   -0.1055   -1.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698    1.3329   -1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5764   -0.3606   -1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0521   -0.3101    1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0147    1.1256    1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870    1.2715   -0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609    1.5301   -0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602   -2.0204    1.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380   -2.3115    1.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0617   -0.8787    0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9517    0.9770   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2813    1.6723   -1.3617 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