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
    3.5800    0.2318   -0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    0.5602    0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024    1.1313    0.2615 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649    0.3260    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6603   -1.0503    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022   -1.7877   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319   -1.1619   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425    0.2089   -0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6715    0.9354    0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729    0.9010   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1326    0.3928   -1.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5608   -0.2123   -0.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4598    0.3763    1.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274   -1.5089    0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4258   -2.8708   -0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6385   -1.7556   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936    2.0115    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7888    0.4930   -1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.9639   -0.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.8154    0.7355 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