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
1.8839 0.0239 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6382 -0.2457 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6611 -0.8913 -1.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6140 0.2305 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6260 0.8722 1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8734 -0.0281 -0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7324 -0.5917 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0969 1.1224 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7134 -0.2723 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2319 -1.0927 -2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5942 -1.2400 -1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5767 1.2095 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2510 1.0757 1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9340 -1.0667 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7381 0.1800 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9771 0.7143 -1.3184 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