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
-1.3210 0.3400 -1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6717 -0.2109 -0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3255 -1.0425 0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6714 0.1780 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3107 1.0102 -0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3386 -0.3455 1.3576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8536 -0.0038 -2.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4104 0.1459 -1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2170 1.4568 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3330 -1.3097 0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8350 -1.4255 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8262 1.4033 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3157 1.3084 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4771 -1.4267 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6895 -0.1837 2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 0.1055 1.4877 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