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
-1.5135 -0.1659 -0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3584 0.6916 0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3155 1.4070 0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7058 -0.1039 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9250 0.3078 0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8444 -1.3436 -0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7586 -0.0873 -1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2518 0.5870 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5871 -1.0141 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0253 2.1751 1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3459 1.5582 0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8983 1.1716 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8397 -0.1886 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0590 -1.8424 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 -2.0363 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 -1.1162 -1.5447 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