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
1.8170 0.7605 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0218 -0.0067 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3646 -0.2874 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1417 -1.0622 -0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9264 0.3310 1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8167 0.9175 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4678 1.2226 0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3807 -0.4843 -1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7662 -1.5180 -1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1451 -1.2558 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0341 0.3093 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5606 1.3690 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 -0.2954 1.8476 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