Monomers

4-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-4-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
JLBJTVDPSNHSKJ-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)C=C
Isomeric SMILES
CC1=CC=C(C=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
    3.3904   -0.5757    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5486    0.4240    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    0.2772    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -0.9457    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459   -1.0635   -0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570    0.0456   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0801    1.2673    0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768    1.4011    0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1105   -0.1673   -0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4350   -0.3828    0.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -1.5867    0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    1.4601    0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1346   -1.8596    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2934   -2.0614   -0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482    2.1425    0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    2.3812    0.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584   -1.0744   -0.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5996    0.7198   -0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5466   -0.4016    0.6726 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
  6  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
  7 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