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
1.9186 -0.4039 -0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6228 -0.0702 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5916 0.0968 1.4523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6065 0.0773 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5762 -0.0919 -1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9002 0.4104 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8851 -1.5145 -0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7446 -0.2411 0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0439 0.1200 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3394 0.3394 1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4895 -0.0070 2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4668 0.0070 -2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 -0.3377 -2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7680 1.2333 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3529 -0.4339 0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6168 0.8159 -0.7152 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