Monomers
Isoprene
Identifiers
IUPAC name
2-methylbuta-1,3-diene
InchI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
InchI Key
RRHGJUQNOFWUDK-UHFFFAOYSA-N
SMILES
C=CC(=C)C
Canonical SMILES
CC(=C)C=C
Isomeric SMILES
CC(=C)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8
Heavy Atom Count
5
Molecular Weight
68.119
Exact Molecular Weight
68.0626
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
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
13 12 0 0 0 0 0 0 0 0999 V2000
1.7395 -0.0669 -0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1310 -0.2167 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3108 -0.0515 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9025 -0.2055 1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1182 0.3005 -0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1804 0.1844 -1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7861 -0.1934 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6906 -0.4678 1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3029 -0.4553 2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9523 -0.0834 1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1907 0.1835 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8002 -0.3018 -1.6727 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9500 1.3738 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 3
3 5 1 0
1 6 1 0
1 7 1 0
2 8 1 0
4 9 1 0
4 10 1 0
5 11 1 0
5 12 1 0
5 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers