Monomers

1,3-Divinylbenzene

Identifiers

IUPAC name
1,3-bis(ethenyl)benzene
InchI
InChI=1S/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2
InchI Key
PRJNEUBECVAVAG-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C=C
Canonical SMILES
C=CC1=CC(=CC=C1)C=C
Isomeric SMILES
C=CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10
Heavy Atom Count
10
Molecular Weight
130.19
Exact Molecular Weight
130.0783
Valence Electrons
50
Radical Electrons
0
tPSA
0.0
MolLogP
2.9726
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

 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.8967   -1.5179   -0.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6921   -0.3613   -0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3580    0.1309   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197    1.3926    0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    1.9191    0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1682    1.2308    0.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579   -0.0034    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1909   -0.5434   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2391   -0.7774   -0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4720   -0.4120    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0522   -2.1409   -1.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9025   -1.8912   -1.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    0.2436   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1501    1.9368    0.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768    2.8916    1.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    1.6905    0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2441   -1.5286   -0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142   -1.7600   -0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    0.5273    0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296   -1.0268   -0.2335 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
  9 10  2  3
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers