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
   -3.4218    0.4268    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311   -0.3951    0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1221   -0.2096    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5811    0.8144   -0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816    0.9233   -0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6607    0.0145   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415   -1.0182    0.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185   -1.1225    0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    0.1299   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1635    1.2762   -0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4817    0.2805    0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8843   -1.2287    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    1.5527   -0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    1.7261   -1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8436   -1.7289    1.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6387   -1.9339    1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6094   -0.8177    0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993    0.3448   -1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458    0.9656    0.3879 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