Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
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

 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.3087   -0.3480    0.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1342   -0.8709    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9015   -0.1188    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9015    1.2433    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3058    1.9013   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4695    1.1718   -0.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4976   -0.1992   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979   -0.8414   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7890   -0.9501   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2192   -0.9345    0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4598    0.7132    0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836   -1.9696    0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371    1.8055    0.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3312    2.9795   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344    1.6772   -0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2892   -1.9314    0.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6878   -1.9726    0.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5503   -0.4369    0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928   -0.9184   -1.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers