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
   -3.3661    0.5867    0.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6063   -0.3408    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1557   -0.2075    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4695    0.8928    0.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9209    0.9623    0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6623   -0.0449   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9688   -1.1483   -0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955   -1.2258   -0.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1383    0.0637   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4408    0.3872    0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9529    1.4990    1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0356   -1.2771   -0.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926    1.7223    0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4548    1.8509    0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -1.9373   -1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9136   -2.1065   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4539    0.2285   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5035    0.9295    0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601   -0.8350    0.0301 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