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
1.2651 0.4546 0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6266 -0.4878 -0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7498 -0.8626 -0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6884 -0.0489 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6411 -0.2935 -1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3023 0.5779 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2676 0.4246 0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9197 -0.2553 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7717 1.3363 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9431 -1.5633 -1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7120 -0.7280 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2790 -0.7971 -2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6571 0.0093 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6794 0.7727 1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8512 1.5189 0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1572 -0.0578 1.2556 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