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
1.3996 -1.0600 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0126 0.1836 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2204 0.4447 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5918 1.6825 0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0446 -0.6694 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 -1.8440 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3217 -1.2766 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6454 1.0016 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0054 2.5307 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5270 1.9035 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4846 -1.1798 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4572 -1.4286 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8237 -0.2882 1.2764 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