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
-1.3419 -0.9340 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 0.7445 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6608 1.2140 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7317 0.2086 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7292 1.1971 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2658 -1.1297 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5675 -1.4598 0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5579 -0.9578 -1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0891 -0.6395 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6355 0.7033 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 2.3498 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7188 0.8350 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3625 2.1802 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0215 -1.4278 1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4112 -1.0147 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0113 -1.8692 -0.4949 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