Monomers
1,3-Pentadiene
Identifiers
IUPAC name
(3E)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InchI Key
PMJHHCWVYXUKFD-SNAWJCMRSA-N
SMILES
C/C=C/C=C
Canonical SMILES
CC=CC=C
Isomeric SMILES
C/C=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
-2.2887 -0.0726 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9394 0.5269 -0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1424 -0.2131 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4848 0.3645 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5741 -0.3494 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0017 0.4230 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1909 -1.1601 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6482 0.0134 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8620 1.5930 -0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0468 -1.2789 -0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5615 1.4359 -0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5317 0.1450 -0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5898 -1.4274 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 3
1 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
5 12 1 0
5 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers