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
1.7013 -0.1235 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6931 -0.1159 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0838 -0.3271 -1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6965 0.1260 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 0.3341 1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6994 0.1320 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7147 -0.3835 0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3685 -0.8905 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7239 0.8375 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3878 -0.3332 -2.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1061 -0.5026 -1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1017 0.5071 1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3770 0.3406 2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6536 0.5598 -0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8997 -0.8928 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2906 0.7320 -1.7578 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