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
    1.9443    0.1946   -2.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698    0.3376   -1.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9530    0.1623   -0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1565    0.3318    0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400    0.1790    1.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1404   -0.1493    1.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -0.3195   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3268   -0.1649   -1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2428   -0.3132    2.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0018   -0.0606   -3.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659    0.3210   -3.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    0.5979   -1.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1746    0.5917    1.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3194    0.3145    2.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   -0.5813   -0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -0.3085   -2.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2349   -1.3413    2.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1568    0.3818    3.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161   -0.1737    1.7495 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