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
1.8008 0.0339 0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6500 0.0514 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9108 0.1777 -1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7097 -0.0653 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8878 -0.1861 1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7983 -0.0401 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7366 -0.0445 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7974 1.0049 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6791 -0.8090 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0544 0.1878 -2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9281 0.2640 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0748 -0.2018 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8821 -0.2745 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5920 -0.8102 -1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7878 -0.2614 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8249 0.9733 -1.1911 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