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
1.8479 -1.2670 0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8510 -0.4608 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1733 0.3676 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0798 1.5972 -0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6504 0.1424 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8478 -0.8772 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8660 -2.2535 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0239 -1.5269 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0772 1.8760 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7603 2.2098 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9953 -0.7180 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2232 1.0237 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7434 -0.1133 1.2690 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