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
1.8385 -0.6417 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5850 0.0167 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5012 0.6020 1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5631 -0.0031 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4852 -0.5859 -1.5967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8182 0.6379 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5775 -0.6923 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2206 -0.0479 -0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6407 -1.6779 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3500 0.6126 2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4095 1.0604 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3615 -0.5909 -2.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4479 -1.0605 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0744 0.2766 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7767 1.7424 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6727 0.3517 -0.6556 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