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
-1.9484 -0.3056 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6320 0.2801 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5946 1.4038 0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6323 -0.3048 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6202 -1.4214 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9335 0.3085 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3687 0.0729 -1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9560 -1.4220 -0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6528 0.0112 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5199 1.8918 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3621 1.8728 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3040 -1.9041 -1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5290 -1.9133 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 -0.1691 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1737 0.1885 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9485 1.4108 -0.0591 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