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
    2.9430    0.8564   -1.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990    0.0626   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -0.1988   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1641   -1.0604    1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0736   -1.3531    1.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1847   -0.7645    1.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0755    0.0929   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2134    0.3472   -0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    0.7255   -0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448    0.5306   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1498    1.3466   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426    1.0451   -1.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581   -0.4220    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0381   -1.5010    1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2341   -2.0164    2.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1385   -1.0056    1.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866    1.0194   -1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    1.3947   -1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2683    1.0169   -0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724   -0.1159    0.5121 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