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
-1.7096 -0.4686 -0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5927 0.3545 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6742 1.6505 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6124 -0.3433 0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7156 -1.6628 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7316 0.4817 0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1465 -1.0523 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4775 0.1863 -1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 -1.1651 -1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1573 2.1988 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5908 2.1318 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5792 -2.2341 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1217 -2.2052 -0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3244 0.9949 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9445 1.2644 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6195 -0.1314 0.9920 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