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
   -2.8837    0.6201   -1.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604   -0.5521   -0.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0520   -0.8210    0.5311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041   -0.5696    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254   -0.8853    1.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195   -0.6458    2.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9522   -0.0956    1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3666    0.2149   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -0.0197   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2126    0.8040   -1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4376    1.5141   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4551    0.7336   -2.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2294   -1.4062   -1.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7360   -1.3164    2.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6780   -0.8869    3.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.1023    1.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4502    0.2223   -1.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    0.4675   -1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.9163   -1.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8531    0.6035   -2.2318 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