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
    3.3812    0.3003   -0.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062   -0.2161    0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1620   -0.1214    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970   -0.7007    1.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757   -0.6446    1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6699   -0.0007    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9687    0.5731   -0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307    0.5091   -0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1643    0.0629    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9365    0.8204   -1.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4679    0.2192   -0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.7380    0.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9257   -1.2176    1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -1.1032    1.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4732    1.0867   -1.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9699    0.9795   -1.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5247   -0.7258   -0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5428   -0.1585    1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4770    1.0755   -0.0851 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