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
-1.7460 -0.2041 -0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6690 -0.2293 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8647 -0.6603 1.4484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6556 0.2274 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8406 0.6492 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7956 0.2197 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6263 -0.7414 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0528 0.8114 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4009 -0.7575 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8538 -0.9898 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0456 -0.6674 2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0186 0.6497 -2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8178 0.9900 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8328 -0.7354 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 1.0352 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7360 0.4025 0.2403 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