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
-1.8057 -0.2858 0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6715 0.0249 -0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8623 0.3223 -1.5163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6731 -0.0061 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8938 -0.3056 1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8006 0.3053 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0053 0.5467 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5944 -1.1830 1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7100 -0.5170 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0339 0.5437 -2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8493 0.3514 -1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8933 -0.3301 1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0868 -0.5347 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7975 -0.4526 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7819 0.2351 -0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6053 1.2856 -1.1043 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