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
-1.5199 0.6874 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5869 -0.1133 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2381 -0.5177 -1.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7036 -0.5550 -0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8661 -0.9526 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0105 0.6227 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2955 0.5776 1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5110 1.7395 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5690 0.2681 0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 -1.0986 -2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2661 -0.3317 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3649 -1.6495 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5571 -0.7535 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7994 -0.0892 1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0182 0.8208 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3373 1.3450 0.8224 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