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
1.7055 -0.8389 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 0.1129 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3928 0.3662 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2115 1.3228 0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7071 -0.5190 -1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6194 -0.9610 0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4254 -1.4493 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1076 0.7450 1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9611 1.9475 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1295 1.4606 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0467 -0.2883 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6382 -1.5941 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7419 -0.3043 -1.3964 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