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
1.5636 1.1323 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5241 0.1202 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4640 -0.5761 1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4939 -0.1270 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4721 0.5479 -1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5739 -1.1428 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1594 2.1675 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0568 0.9280 -0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2754 1.1242 1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1957 -0.4350 2.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2976 -1.3165 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2344 0.3462 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 1.2697 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9815 -0.9720 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3662 -0.9335 -1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1244 -2.1331 -0.3626 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