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
    3.1531   -1.3764   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695   -0.8914   -0.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835    0.1631   -0.6058 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0531    0.0084   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4521   -1.2779   -0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575   -1.4498    0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -0.3836    0.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0274    0.9149    0.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203    1.0869    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463    2.4478    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595   -2.2014   -0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3199   -0.8880    0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9955   -1.3697   -1.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790   -2.1225   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -2.4417    0.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5745   -0.4751    0.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6633    1.7528    0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953    3.0416    1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278    3.0286   -0.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9579    2.4335    0.0896 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