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
-1.7156 -0.0761 0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6652 -0.2460 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9304 -0.8456 -1.2489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6761 0.2437 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9594 0.8464 1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7047 0.0569 -0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7140 -0.3390 0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7158 0.9846 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4777 -0.7123 1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1887 -0.9845 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9348 -1.2323 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 1.2237 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1858 0.9594 1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0130 -1.0023 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5572 0.7187 -0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3024 0.4046 -1.8969 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