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
1.7990 -0.5717 -0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6839 0.1675 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9868 1.2055 0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7024 -0.1925 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0109 -1.2248 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7594 0.5821 0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5908 -1.6649 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7490 -0.3845 -0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9144 -0.3078 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0122 1.5422 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2265 1.7934 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0511 -1.5458 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2649 -1.8210 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6892 0.5510 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7105 1.6459 0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7743 0.2254 0.3226 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