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
1.2829 -0.9324 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5594 0.7419 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6505 1.2163 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7213 0.1849 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6000 1.0400 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2780 -1.1608 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9871 -0.8935 1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2831 -0.5852 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8136 -1.4335 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 2.4498 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6123 1.1015 0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6091 0.7049 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2460 2.0316 -1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3620 -1.0836 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8525 -1.5290 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0755 -1.8530 -0.8297 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