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
    3.1423    0.8260   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752    0.1841    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4313   -0.7180   -0.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0870   -0.7089   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6093   -1.8371   -0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797   -1.8842   -0.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7302   -0.8629   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    0.2346    0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6504    0.2996    0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0099    1.5088    0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0555    0.6634   -1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8748    1.5309   -0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324    0.4107    1.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0362   -2.6626   -1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890   -2.7660   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8122   -0.9321    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6023    1.0721    0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7308    1.9755    0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7873    2.3063    1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5155    1.3598    1.8652 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