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
1.6927 0.9886 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6799 -0.0827 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0882 -1.2757 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7127 0.1091 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1263 1.2905 0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6667 -1.0022 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6043 1.5610 -1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5555 1.7019 0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7074 0.5633 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3613 -2.0972 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1144 -1.4067 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4297 2.1417 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1705 1.4654 0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6380 -0.8005 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2294 -1.8891 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8306 -1.2674 -0.9438 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