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
1.8335 -0.6021 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5677 -1.0210 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5408 -0.0845 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7869 -0.5085 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2106 1.3736 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6124 -1.3375 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0460 0.4388 0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3164 -2.0700 0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5845 0.2138 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9923 -1.5487 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3807 1.5086 -1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4604 1.6256 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1021 2.0120 -0.0461 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