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
0.6045 1.3480 1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4652 0.5378 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2440 0.8015 -0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4955 -0.5297 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2785 -0.7957 0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5972 -1.3092 -1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3857 1.6456 1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2663 2.2018 1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1029 0.7015 2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1786 0.2304 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9794 1.6129 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2436 -0.2524 1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9889 -1.5968 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4001 -2.0661 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3479 -1.8760 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7992 -0.6534 -2.1840 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