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
-1.1510 -1.3410 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5320 -0.0352 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9697 1.1028 0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5373 0.0090 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0207 -1.0861 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1008 1.3128 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 -1.8123 1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2770 -2.0242 0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0989 -1.1132 1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7758 1.0856 1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5631 2.0503 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6438 -2.0748 -0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8224 -1.0550 -1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3466 1.9543 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2935 1.8440 -1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0085 1.1830 -1.4888 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