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
    2.8740   -0.2973   -1.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4499   -0.7565   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1319   -1.1260   -0.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1499   -0.1466    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.1867    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653    2.1597    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7769    1.7776    0.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043    0.4406    0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1513   -0.5510    0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5286   -2.0042    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -0.0050   -1.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1547   -0.2104   -2.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1421   -0.8531    0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5268    1.5190   -0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2309    3.2112    0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5387    2.5322    0.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1443    0.1492    0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645   -2.3596    1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802   -2.5974   -0.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5412   -2.0690   -0.1028 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