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
1.5208 0.4124 1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5694 0.9424 0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 0.1316 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2977 0.7227 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 -1.3510 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2213 0.9939 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6255 -0.6666 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 2.0192 0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0243 0.1776 -1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 1.8050 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 -1.7164 0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8967 -1.7333 0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8650 -1.7374 -0.9325 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