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
-1.6647 0.8938 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 -0.1003 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1714 -1.1474 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7012 0.0767 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1389 1.1381 -0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7137 -0.8984 0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3916 1.9420 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6993 0.7056 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7291 0.8481 -1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2441 -1.2906 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 -1.9289 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2042 1.2595 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4181 1.8579 -1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4098 -1.3829 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9225 -1.6263 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -0.3470 0.6210 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