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
-1.8820 -0.2597 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6591 -0.0419 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7709 0.1113 1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6712 0.0123 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8543 -0.1330 -1.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8726 0.2331 0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7477 0.2222 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8371 0.1817 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1446 -1.3508 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0937 0.2741 2.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 0.0831 2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0055 -0.2956 -2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8254 -0.0980 -1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8932 -0.4469 1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7519 1.2634 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8014 0.2446 0.0764 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