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
1.6952 -0.7682 0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 0.1742 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0553 1.2843 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6917 -0.1713 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0659 -1.2910 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6819 0.7697 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6708 -1.6981 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7232 -0.3644 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -0.9499 1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0949 1.5381 -0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2956 1.9215 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3424 -1.9612 1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1270 -1.5017 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5159 0.7789 -1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7151 0.4767 -0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4865 1.7625 -0.0881 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