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
1.3051 0.7832 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7339 0.0079 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4848 -0.6607 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 -0.0305 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4739 0.6270 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3397 -0.7883 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1856 1.8634 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8851 0.4746 -2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4063 0.5806 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5541 -0.6241 0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0857 -1.2145 1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0022 1.1755 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5467 0.5978 -0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4118 -0.8965 0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3022 -0.1254 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 -1.7700 1.3913 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