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
1.5740 1.0975 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 -0.0617 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2711 -1.2491 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7377 0.0860 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3149 1.2630 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5762 -1.0973 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7582 1.7216 0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5409 0.7590 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0876 1.7359 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3337 -1.3993 -0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 -2.1457 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6811 2.1109 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3963 1.3763 0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2613 -1.9112 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6470 -0.8952 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3428 -1.3905 1.4359 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