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
    3.1307   -0.4432    0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036   -0.7647   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -1.0866   -0.2879 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0921   -0.1267   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4424    1.2060   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5287    2.1851    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8285    1.7761    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    0.4441    0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160   -0.4935    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.9312    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1784   -0.1784    0.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6880   -0.4350    1.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8382   -0.7793   -1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521    1.5360   -0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    3.2292    0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6133    2.5204    0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2388    0.1699    0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -2.0342   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6051   -2.3007    1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -2.4933   -0.5138 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