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
    3.0099   -1.0414    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568   -1.1192   -0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803   -0.0806   -1.0823 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791    0.3858   -0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4017    1.5107   -1.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6070    2.0392   -0.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3817    1.5327    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9045    0.4340    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6719   -0.1493    0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1818   -1.3395    1.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5647   -1.9118    0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148   -0.0936    0.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8647   -2.0914   -1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611    1.9525   -2.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965    2.9091   -1.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3343    1.9400    0.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925    0.0251    1.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0493   -1.6784    1.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -1.0652    1.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1563   -2.1587    0.4658 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