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
1.6654 -0.0092 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1515 0.3501 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2591 0.1192 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7525 0.4812 1.5896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1687 -0.5333 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7069 0.1658 -1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0478 -0.4919 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7994 0.8228 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1069 0.9511 2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7828 0.3036 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5823 0.1842 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0399 -1.0075 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6787 -1.3360 -1.1205 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