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
1.8082 -0.6985 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6803 0.2556 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8766 1.5562 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6755 -0.2481 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9045 -1.5406 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8244 0.6868 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7071 -0.1523 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0550 -1.1700 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6155 -1.5010 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8900 1.9303 0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0603 2.2553 -0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0857 -2.2348 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9172 -1.8859 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7135 1.4898 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8095 1.1020 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7630 0.1553 0.0055 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