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
   -3.3579    0.2802   -0.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6065   -0.1321    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1480   -0.0863    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024    0.3991   -0.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9926    0.4199   -0.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6847   -0.0378    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9327   -0.5219    1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445   -0.5433    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768   -0.0083    0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9506    0.7000   -1.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4266    0.2198   -0.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135   -0.5278    0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    0.7608   -1.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5439    0.8067   -1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752   -0.8847    2.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0243   -0.9285    2.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675    1.0238    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403   -0.6440   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941   -0.2955    1.2647 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