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
1.9027 -0.2572 0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5599 -0.3851 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3956 -1.2353 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5760 0.3941 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4098 1.2315 1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8873 0.2542 -0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9811 -0.8145 1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6442 -0.6553 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1800 0.8331 0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2310 -1.8429 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5770 -1.3079 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5564 1.3222 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1995 1.8628 1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2122 -0.8128 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8880 0.6334 -1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7011 0.7798 -0.0146 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