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
    3.3453   -0.1300    0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577   -0.0510   -0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086    0.6981   -0.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1022    0.0372   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0405   -1.3362   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1768   -1.9910   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3324   -1.2583    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2891    0.1253    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555    0.7711   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9661    2.2481    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999    0.3706    1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324   -0.7075    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402   -0.5750   -1.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9311   -1.9552   -0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908   -3.0709   -0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988   -1.7271    0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1682    0.7299    0.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7727    2.5204    1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924    2.5883   -0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9150    2.7132   -0.2753 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