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
-1.7383 -0.5467 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6566 -0.0884 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8828 0.1671 -1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6797 0.0727 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8949 -0.1852 1.5429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7413 0.5289 -0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6467 -0.6879 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9157 0.2205 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3824 -1.4930 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8678 0.0506 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0848 0.4945 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8722 -0.0775 1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 -0.5118 2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6962 0.7483 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3680 1.5039 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8407 -0.1961 -1.4829 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