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
1.8047 -0.4642 -0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5421 -0.6417 -0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5442 -0.0258 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8030 -0.1879 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1461 0.8400 1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0893 0.1517 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5808 -0.9406 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2864 -1.2641 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1375 -0.7927 -1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5609 0.2964 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0421 1.3641 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6442 1.5312 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2864 0.1335 1.8383 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