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
    3.5747   -0.1986    0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371   -0.3167   -0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3399    0.4836   -0.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583   -0.0295   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1264   -1.3819   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079   -1.9465   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4429   -1.0619    0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2516    0.2950    0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9842    0.8358    0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042    2.2950    0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3948   -0.8400    0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.5785    1.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293   -1.0995   -1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6808   -2.0749   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5726   -3.0073   -0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4490   -1.4833    0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0887    0.9801    0.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3829    2.5880    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    2.8219   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468    2.5623    0.5348 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