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
1.5958 1.0688 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7110 -0.1172 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2238 -1.3403 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7149 0.0977 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1765 1.3264 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6282 -1.0876 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6799 0.7835 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3212 1.6892 0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4053 1.6964 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2928 -1.4651 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5736 -2.1940 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4831 2.1560 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2476 1.4526 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2878 -1.8189 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6262 -0.7237 0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6391 -1.5238 -1.1181 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