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
   -3.3527   -0.1989    0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1904   -0.7861    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991   -0.1176    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8074    1.2487    0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4364    1.8829    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5914    1.1375    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4809   -0.2137    0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2726   -0.8689    0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144   -1.0255   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4263    0.8806    0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2560   -0.8026    0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1711   -1.8865   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6906    1.8697    0.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453    2.9440    0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710    1.6493    0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2003   -1.9488   -0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5735   -2.0700    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -0.5862    0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436   -1.1080   -1.1405 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