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
   -3.4441   -0.1593    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4786    0.7221    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    0.3684    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6237   -0.9126   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439   -1.2138   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6161   -0.1621    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    1.1357    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1277    1.3883    0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779   -0.4893   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2174   -1.2062   -0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4917    0.1616    0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619    1.7523    0.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3003   -1.7339   -0.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0812   -2.2391   -0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9837    1.8989    0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4328    2.4223    0.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005   -0.7686   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274   -1.3419    0.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097    0.3773    0.2092 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