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
-0.3602 -1.2237 1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4349 -0.0350 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2883 0.9029 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4251 0.0832 -0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2736 -0.8925 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3978 1.2704 -1.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1359 -1.2228 2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5886 -2.1489 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6212 -1.3558 1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3392 1.7808 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9475 0.8316 1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9402 -0.8491 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2946 -1.7422 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0146 2.0646 -1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6616 1.6023 -1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7892 0.9342 -2.4523 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