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
1.7939 -0.0083 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9719 -0.6581 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 -0.1955 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2012 -0.8373 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8422 1.0130 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 -0.3604 -0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4652 0.8749 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3184 -1.5430 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2201 -0.4712 1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8254 -1.7095 1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0822 1.8001 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8625 1.3212 -0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9532 0.7742 -1.5078 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