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
    1.3504    0.6367    2.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844   -0.5270    2.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326   -0.8239    1.2534 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1093   -0.1611    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771    0.9408   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308    1.5923   -1.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842    1.1246   -2.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1499    0.0295   -1.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9179   -0.6326   -0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164   -1.8165   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169    1.3798    2.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    0.8880    3.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418   -1.2629    2.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6774    1.2944    0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343    2.4498   -1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796    1.6352   -3.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -0.3306   -2.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4752   -1.5798    0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9565   -2.5489    0.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224   -2.2877   -1.2252 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