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
1.3355 0.9675 -0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8739 -0.2449 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2419 -0.4382 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7040 -1.6647 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8669 0.7067 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1651 1.1508 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9071 1.8378 -0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3307 -1.0630 -1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2672 -2.5220 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5362 -1.8168 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5905 0.3809 1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 1.3518 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0782 1.3540 1.3199 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