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
-1.9342 0.0919 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5747 -0.4683 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4612 -1.7472 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5854 0.4153 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4052 1.6793 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9641 -0.0824 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6978 -0.6876 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9341 0.6647 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0929 0.8554 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4759 -2.2503 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3596 -2.3339 0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2682 2.3168 -0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5904 2.0663 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5605 0.7689 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3874 -0.3492 -0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9983 -0.9397 0.8789 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