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
1.6506 -0.8073 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4283 -0.5359 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1696 -1.2550 1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4395 0.5474 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1712 1.2653 -1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6577 0.7882 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3321 -0.8894 -1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3465 0.0374 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1237 -1.7739 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7231 -1.0391 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8443 -2.0385 1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7205 1.0427 -1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7944 2.0667 -1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2906 0.9924 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2009 1.6666 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3382 -0.0676 0.5987 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