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
-0.8383 -1.3080 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7518 0.0695 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9266 0.7611 0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3512 0.8314 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2913 1.4808 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4691 -0.6497 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9047 -1.6381 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3885 -1.4876 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 -1.9894 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 1.7839 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7988 0.2583 0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3372 1.3408 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9653 2.5726 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 -0.1179 -0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 -0.9683 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2480 -0.9394 0.6956 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