Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=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
    3.2705   -0.7085    0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -1.1432    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8909   -0.2568    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0243    1.1046    0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1059    1.9165    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669    1.3689   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305   -0.0059   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920   -0.7789   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8935   -0.6204   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1004   -1.4147    0.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5646    0.3252    0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642   -2.2258    0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9841    1.5919    0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0141    2.9944    0.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2728    1.9577   -0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4952   -1.8632   -0.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0850   -1.2590    0.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6351    0.1991   -0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9834   -1.1819   -1.1516 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
  7  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
  6 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