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
-1.4444 -1.1608 0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7130 0.0862 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3582 1.2281 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 -0.0323 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2978 -1.2012 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5168 1.1682 -0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0216 -1.6077 1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -1.8948 -0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5435 -0.9681 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4040 1.2296 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9084 2.1789 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7235 -2.0788 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3398 -1.3449 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2887 1.3894 -1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2066 2.0600 0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5898 0.9482 -0.4247 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