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
   -3.3842    0.0164    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4215   -0.8267   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0291   -0.4521   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0309   -1.3832   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648   -1.0022   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5947    0.3087    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224    1.2431    0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    0.8419    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458    0.6297    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3156    1.0510    0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4418   -0.3203    0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6571   -1.8514   -0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240   -2.3916   -0.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0487   -1.7221   -0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9468    2.2386    0.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4457    1.5813    0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5113    0.4878   -0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5073   -0.1021    0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2094    1.6534    0.5680 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