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
    3.4882   -0.4981   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2971   -0.6095   -0.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365    0.3883   -0.5291 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0743   -0.0460   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2499   -1.3760    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5353   -1.7651    0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4852   -0.8089    0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2058    0.5288    0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9205    0.8828    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.3204   -0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2219   -1.2618   -0.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    0.3616    0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0284   -1.4855   -1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5057   -2.1291   -0.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202   -2.8173    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4920   -1.1087    0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9667    1.3059    0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3220    2.4460   -0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671    2.8508   -0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913    2.8215    0.8846 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