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
-2.2803 -0.1697 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9218 0.4260 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1735 -0.2226 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4419 0.4356 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5420 -0.1930 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2503 -1.1120 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5691 -0.4494 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9801 0.5729 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8843 1.4664 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1287 -1.2496 -0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5115 1.4559 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5232 0.2825 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5651 -1.2430 -0.6911 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