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
1.8689 -0.4332 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5281 0.1877 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2541 1.1484 1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5086 -0.2291 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3351 -1.1789 -1.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8419 0.4516 -0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5865 0.2364 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2673 -0.5235 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8667 -1.4395 0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7172 1.6062 1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0139 1.4662 1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 -1.4420 -2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5992 -1.7031 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5154 0.0663 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6836 1.5500 -0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2529 0.2365 0.5796 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