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
    3.4272    0.0057   -0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588   -0.0351    0.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248   -0.0165    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549    0.0440   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8268    0.0576   -1.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    0.0117   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1054   -0.0488    1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686   -0.0631    1.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1513    0.0257   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332    0.0546   -1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4845   -0.0088   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444   -0.0840    1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1972    0.0814   -1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2401    0.1053   -2.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502   -0.0871    2.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219   -0.1107    2.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4486   -0.2019   -1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6454   -0.7453    0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5697    1.0152    0.1025 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