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
1.6699 -0.9020 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 0.1614 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9366 1.3456 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6528 -0.1423 -0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8980 -1.3275 -0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7237 0.8953 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2914 -1.8623 0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5137 -0.5743 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0663 -1.1273 -0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2382 2.1703 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9193 1.4976 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1141 -2.0676 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8688 -1.5244 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6969 0.4152 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5265 1.6522 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8085 1.3902 0.6728 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