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
-1.6264 -0.9514 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6875 0.0719 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1429 1.1048 0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7153 -0.0829 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1410 -1.1174 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6576 0.9633 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5374 -1.9210 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4161 -1.0981 -1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6821 -0.6091 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5031 1.8824 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2027 1.1845 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4562 -1.8583 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 -1.2049 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7101 0.6984 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5315 1.0318 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3833 1.9059 -0.1154 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