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
    2.1110    0.0073    2.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3603    0.3124    1.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550    0.7334    0.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2401    0.0367   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380   -1.2541    0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1584   -1.9487   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680   -1.3273   -0.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8362   -0.0375   -1.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    0.6196   -0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4289    2.0035   -1.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041   -0.3256    3.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227    0.0747    2.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3718    0.2171    0.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694   -1.7234    1.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993   -2.9506    0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9752   -1.8248   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5705    0.4311   -1.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371    2.5050   -1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3407    1.9097   -2.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263    2.5415   -0.4923 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