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
-1.6183 -0.9184 0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4701 -0.4909 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2976 -1.0593 -1.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4731 0.5316 0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3100 1.1055 1.6105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6024 0.9259 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4771 -0.2274 0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -1.0526 1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 -1.9187 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5135 -0.7823 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9827 -1.8268 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0167 1.8633 1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5238 0.7969 2.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3516 1.4993 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.5286 -1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1544 0.0254 -0.8148 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