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
    3.5278    0.2069    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390   -0.3082    1.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6711   -0.9958    0.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5312   -0.3157    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820    1.0503    0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6305    1.7399   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7595    0.9667   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7165   -0.3990   -0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -1.0498    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9231   -1.1895   -0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962    0.0982   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4435    0.7471    0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910   -0.1849    2.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766    1.6147    0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470    2.8016   -0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6496    1.4684   -0.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6096   -2.1244    0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1388   -1.0731   -1.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7712   -2.2641   -0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8228   -0.7894   -0.1252 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