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
-1.7920 0.7160 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 -0.2241 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8486 -1.4903 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6874 0.2558 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8673 1.5149 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8334 -0.6987 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6931 0.2273 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6593 1.6655 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9518 0.9263 1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0528 -2.2107 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8555 -1.8368 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0293 2.1681 0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8607 1.8759 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7966 -0.1937 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7037 -1.2164 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7428 -1.4791 0.7735 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