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
    3.3348   -0.1827    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022    0.1215   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    0.7764   -0.4141 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170    0.0590   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -1.3215   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530   -1.9913   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2259   -1.3160    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2198    0.0606    0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    0.7684    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1165    2.2345    0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    0.0455    1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2595   -0.6879    0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7719   -0.1468   -1.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636   -1.8876   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0839   -3.0713   -0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1482   -1.8609    0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1415    0.5916    0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881    2.5354   -0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598    2.7563   -0.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2663    2.5168    1.1685 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