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
-0.5669 1.3232 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5474 0.4744 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5234 0.5660 0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5293 -0.4668 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4955 -0.5378 -0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5552 -1.3175 1.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2335 2.0867 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4356 0.6204 -2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5254 1.8298 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4800 -0.0619 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3283 1.2551 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5074 0.0615 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3072 -1.2266 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3124 -2.1168 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3962 -1.7910 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8628 -0.6985 2.2292 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