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
   -3.4448    0.4817   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5748   -0.4650    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1409   -0.2631    0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397    0.9620   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321    1.1150   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734    0.0449    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -1.1887    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -1.3254    0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1499    0.1867    0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5030    0.2900   -0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1267    1.4892   -0.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9414   -1.4898    0.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1346    1.8309   -0.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    2.0882   -0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7016   -2.0680    0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7224   -2.3105    0.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -0.8164    0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146    0.6758    1.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5387    0.7627   -0.7451 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