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
   -2.3565    0.6384   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3777   -0.4631    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672   -1.6550    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0290   -0.1372    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304    1.1661   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7371    1.5275   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812    0.5709    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3199   -0.7225    0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722   -1.0966    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0916    1.0173   -1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3799    0.2705   -0.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1497    1.4604    0.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2088   -2.4618    0.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9277   -1.8456    0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    1.9296   -0.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9904    2.5545   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7225    0.8331    0.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619   -1.4645    0.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7423   -2.1221    0.5807 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