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
    2.9577   -2.5494   -1.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168   -1.2819   -1.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911   -1.6148   -0.8408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1995   -0.7305   -0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966   -1.1750    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9122   -0.3399    0.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6744    1.0369    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4783    1.4791    0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4499    0.6197   -0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    1.8927    1.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4850    3.1723    1.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0244   -2.3191   -2.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418   -3.3297   -1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4013   -2.8651   -2.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9840   -0.9409   -0.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2512   -0.5045   -2.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2096   -2.2403    0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8561   -0.6915    1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2242    2.5271    0.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3849    0.9839   -0.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5752    1.4423    1.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5983    3.6443    1.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2340    3.7843    2.1954 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