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
-1.4795 -0.3691 -1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7329 -0.0298 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3700 0.2119 1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7117 0.0380 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3344 -0.2013 -1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5040 0.3788 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5741 -0.2310 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2753 -1.4297 -1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1918 0.2548 -2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8138 0.4568 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4366 0.1724 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 -0.4445 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4022 -0.1677 -1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 1.4718 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1501 -0.1435 2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5627 0.0321 1.0412 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