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
    3.2657   -0.3711    0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104   -0.5060   -0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354   -0.9563   -0.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0845   -0.0670   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405    1.2856   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163    2.1600   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045    1.6841    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2504    0.3065    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1948   -0.5687    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3731   -2.0318    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9206   -0.6329    1.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828   -0.0088    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256   -0.2508   -1.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405    1.6965   -0.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4976    3.2225   -0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220    2.3909    0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595   -0.0537    0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -2.4983   -0.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671   -2.2513    0.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254   -2.5493    0.6808 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