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
    2.7302   -1.4479   -0.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9177   -1.6785    0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485   -1.5134    0.3195 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0628   -0.2222    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8904    0.8790    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3482    2.1493   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    2.3658   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8293    1.2569   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983   -0.0078    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1820   -1.1868    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046   -1.1182   -1.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8003   -1.5853   -0.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -2.0060    1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.7502    0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958    3.0258   -0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4268    3.3624   -0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9077    1.4132   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9021   -1.8913    0.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2121   -0.8474    0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1973   -1.6976   -0.8804 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