Monomers

alpha-Methylstyrene

Identifiers

IUPAC name
prop-1-en-2-ylbenzene
InchI
InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
XYLMUPLGERFSHI-UHFFFAOYSA-N
SMILES
CC(=C)c1ccccc1
Canonical SMILES
CC(=C)C1=CC=CC=C1
Isomeric SMILES
CC(=C)C1=CC=CC=C1
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
2.7197
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
    2.3696    0.7847   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357   -0.3356   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9571   -1.5199    0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -0.1331    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400    1.1471   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8914    1.3880   -0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040    0.3899    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051   -0.8734    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9262   -1.1170    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3801    1.0409   -1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3981    0.5365   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511    1.6465    0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003   -2.4294    0.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325   -1.6743    0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592    1.9418   -0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2991    2.3918   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8660    0.6162    0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9916   -1.6783    0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5519   -2.1222    0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers