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
1.8442 -0.0467 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6830 0.1633 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7918 0.5963 -1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6392 -0.1384 0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7488 -0.5745 1.4593 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8605 0.0399 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7929 0.2538 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8375 -1.1280 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6676 0.5017 1.5581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 0.7309 -2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7597 0.8235 -1.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1103 -0.7147 2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7292 -0.7970 1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0280 1.1500 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6995 -0.3887 -1.6217 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7093 -0.4715 -0.1052 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