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
1.8911 0.4528 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5679 -0.0840 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3856 -0.7282 -1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5476 0.0891 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3877 0.7165 1.5848 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8806 -0.4388 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2579 -0.0454 0.8543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7756 1.5381 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6575 0.3046 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5818 -1.1206 -1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1944 -0.8766 -2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5969 1.0940 1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1973 0.8710 2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9492 -1.5395 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1572 -0.2271 -0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6256 -0.0058 0.7816 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