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
-1.7794 -0.7360 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6632 0.2298 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9361 1.5130 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 -0.2383 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9787 -1.5214 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8177 0.7295 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6293 -0.2373 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5254 -1.6221 -0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2035 -0.9908 0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1819 2.2797 -0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9614 1.8168 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9897 -1.8823 0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2146 -2.2929 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7679 0.2253 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8520 1.2966 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5492 1.4305 1.0267 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