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
    3.3581    0.4521   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3153    0.4240   -0.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849    0.9285   -0.5451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0571    0.0443   -0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2176   -1.3170   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8220   -2.1818    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0217   -1.6555    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1815   -0.2807    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515    0.5587    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3019    2.0562    0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3012    0.0502   -0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2569    0.8706    0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762    0.0154   -1.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1672   -1.7229   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6615   -3.2599    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8421   -2.2902    0.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1243    0.1302    0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8262    2.3582   -0.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107    2.5367    0.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8911    2.2830    1.1700 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