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
    3.6092   -0.1487   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553   -0.3923    0.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3746    0.4598    0.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700   -0.0583    0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1684   -1.4200    0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4504   -1.9265    0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -1.0260   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2848    0.3410   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9877    0.7969    0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7744    2.2717    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4531   -0.7820   -0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.7439   -0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3807   -1.2710    1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6629   -2.1184    0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764   -2.9838    0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4928   -1.4203   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1354    1.0036   -0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2627    2.5226   -0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315    2.6618   -0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0866    2.7459    0.9431 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