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
1.0122 -1.2246 1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6550 -0.3406 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4621 -0.1579 -1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6416 0.3124 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4664 0.1346 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0182 1.1950 -1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3320 -2.0908 1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0789 -1.5039 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8764 -0.6039 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1519 0.4858 -1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4237 -0.6214 -1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1599 -0.5090 1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4298 0.6146 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1943 1.9423 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1377 0.6194 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9443 1.7481 -0.9518 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