Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=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
    3.4233    0.5038    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6313   -0.0599   -0.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8636   -1.1573   -0.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362   -0.9730   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730   -2.0283    0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6023   -1.8353    0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1377   -0.5630    0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3573    0.5136    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0357    0.2811   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9819    1.8601    0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4807    0.1240    1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0143    1.3507   -0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5850    0.3433   -1.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1927   -3.0255    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2174   -2.6726    0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897   -0.3988    0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446    1.1700   -0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829    2.6674    0.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3849    2.0068   -0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8092    1.8930    0.8599 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
  8 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
  9 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