Monomers

2,3-Dimethyl-1,3-butadiene

Identifiers

IUPAC name
2,3-dimethylbuta-1,3-diene
InchI
InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3
InchI Key
SDJHPPZKZZWAKF-UHFFFAOYSA-N
SMILES
CC(=C)C(=C)C
Canonical SMILES
CC(=C)C(=C)C
Isomeric SMILES
CC(=C)C(=C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10
Heavy Atom Count
6
Molecular Weight
82.146
Exact Molecular Weight
82.0783
Valence Electrons
34
Radical Electrons
0
tPSA
0.0
MolLogP
2.1386
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -0.5669    1.3232   -1.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5474    0.4744   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5234    0.5660    0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293   -0.4668    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4955   -0.5378   -0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552   -1.3175    1.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2335    2.0867   -1.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4356    0.6204   -2.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254    1.8298   -1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4800   -0.0619    1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3283    1.2551    0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074    0.0615   -1.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3072   -1.2266   -0.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3124   -2.1168    1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -1.7910    1.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8628   -0.6985    2.2292 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  3
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
  3 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers