Monomers

1-Ethenoxy-2-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-2-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InchI Key
TWWWGBSUPNNTMJ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1C
Canonical SMILES
CC1=CC=CC=C1OC=C
Isomeric SMILES
CC1=CC=CC=C1OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
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

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.3030    0.4508    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    0.4072   -0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3340   -0.4226   -0.6095 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0959    0.0290   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056    1.3558    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3568    1.7861    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010    0.8897    0.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2321   -0.4361    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9642   -0.8524   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7344   -2.2696   -0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1548    1.1233    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1851   -0.1543    1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208    1.0126   -1.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    2.0284    0.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4838    2.8394    0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3673    1.2301    0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0410   -1.1520    0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0815   -2.6661    0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727   -2.3596   -1.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764   -2.8397   -0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  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
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers