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
-1.1886 -1.0553 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6207 0.4283 -0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7276 0.4395 -1.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6504 0.4154 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4307 1.5284 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3627 -0.6666 0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6137 -0.8548 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9193 -1.7174 -0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1926 -0.7519 0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8903 1.2858 -1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5956 -0.1904 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0305 2.3637 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3930 1.6453 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3953 -0.4912 1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0212 -1.6856 0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4647 -0.6933 0.4707 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