Monomers

2,5-Dimethylstyrene

Identifiers

IUPAC name
2-ethenyl-1,4-dimethylbenzene
InchI
InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
InchI Key
DBWWINQJTZYDFK-UHFFFAOYSA-N
SMILES
C=Cc1cc(C)ccc1C
Canonical SMILES
CC1=CC(=C(C=C1)C)C=C
Isomeric SMILES
CC1=CC(=C(C=C1)C)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.9464
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

 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.3204    1.7531    0.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0369    0.6395    0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.1287    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203    0.8347    0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    0.3599    0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9043    1.0933    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251   -0.8292   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374   -1.5302   -0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -1.0594   -0.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7469   -1.8001   -1.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3639    2.0617    0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    2.4168    1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8557    0.0539   -0.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2774    1.7574    1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516    1.7151    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561    1.7387    1.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    0.3911    1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8521   -1.1958   -0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8805   -2.4671   -1.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879   -1.9444   -0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2185   -1.2934   -2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4526   -2.8243   -1.4691 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  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers