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
   -3.4316    0.1235    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5363    0.2680   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141    0.1326   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1986    0.2927   -1.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580    0.1715   -1.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6874   -0.1144    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7787   -0.2728    1.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5885   -0.1520    0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -0.2437    0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5116    0.2264    0.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2224   -0.1011    1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9044    0.4932   -1.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6237    0.5194   -2.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8442    0.3005   -1.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771   -0.4989    2.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2509   -0.2885    1.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706   -1.1351   -0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7046    0.6847    0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3106   -0.4059    1.3852 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