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
1.7163 0.9921 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6831 -0.0669 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0627 -1.2898 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6916 0.1767 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1651 1.3526 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6283 -0.9874 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2286 0.8240 1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3137 2.0046 0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4937 0.7836 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0890 -1.5348 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3218 -2.0820 0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5802 2.2667 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1969 1.4543 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6307 -1.5533 0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3402 -1.6789 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6760 -0.6614 -0.4328 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