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
1.8231 -0.6130 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0337 0.4240 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3688 0.3686 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1454 1.4221 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8997 -0.8768 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8615 -0.5829 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4704 -1.5343 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4285 1.3155 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7646 2.3299 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1726 1.3239 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7461 -1.7627 -0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0190 -0.7761 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5010 -1.0382 1.6069 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