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
-0.6845 -1.2715 -1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7291 -0.1588 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9937 -0.0622 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1600 0.7944 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 1.6336 0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6105 -0.1120 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 -2.1327 -0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3103 -1.6132 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2367 -0.9031 -1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0629 0.7485 1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7677 -0.7252 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7652 2.3587 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9448 1.8003 0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3477 0.4203 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3524 -1.0141 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3256 0.2370 -1.3127 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