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
   -3.4549    0.2862   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5526   -0.2944    0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1261   -0.1525    0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2289   -0.8093    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1365   -0.7318    0.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889    0.0090   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    0.6579   -0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5746    0.5877   -0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588    0.1224   -0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397    0.8991   -1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5138    0.1554   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9296   -0.9033    1.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863   -1.3966    1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7716   -1.2625    1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408    1.2383   -1.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202    1.1123   -1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5505    1.0556    0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037    0.1425   -1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592   -0.7162    0.2135 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