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
1.4364 -1.2257 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7529 -0.0004 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4655 0.9866 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6945 0.0704 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3721 -0.9457 0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4997 1.2435 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3078 -1.2865 1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5255 -1.2049 0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9724 -2.1500 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5399 0.9054 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0312 1.9069 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8323 -1.8371 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4304 -0.9644 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9278 2.1673 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9839 0.9561 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2909 1.3785 0.3992 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