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
-1.2592 1.4242 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2852 0.5326 -0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0048 0.7374 -1.6596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3077 -0.5416 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0148 -0.6981 1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2688 -1.4212 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7622 1.8666 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0687 0.7553 0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6854 2.1531 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7050 0.0729 -2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4663 1.5432 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4412 -1.5125 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 -0.0299 2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7271 -1.8324 -1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6869 -2.2136 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1200 -0.8360 -0.7484 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