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
   -2.6537   -1.5604    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944   -0.2808    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0614    0.2651    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8253    1.6424    0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4434    2.1663    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5110    1.2976   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415   -0.0682   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440   -0.5423   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134   -0.9759   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6819   -1.9531    0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098   -2.3355    0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2282    0.4085    0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6994    2.2688    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6235    3.2354    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5351    1.6893   -0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -1.6238   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819   -2.0266   -0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.8064    0.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0635   -0.8002   -1.1595 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