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
0.5836 -1.3136 1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0465 -0.1313 1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2064 0.4481 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 1.6403 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1412 -0.2918 -1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7446 -1.6855 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8800 -1.9488 0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2313 0.4620 2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9494 2.0990 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9995 2.1739 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1966 -0.0422 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0392 -1.3917 -1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4963 -0.0185 -2.2334 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