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
-1.4097 1.3409 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7361 0.0278 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4146 -1.0981 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7115 -0.0051 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4579 1.0710 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3863 -1.3263 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9440 1.9994 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3448 1.8991 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4711 1.2027 0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4919 -1.1297 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9026 -2.0486 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 0.9957 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0055 2.0411 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1328 -1.7545 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0371 -1.9992 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4658 -1.2161 -0.0488 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