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
2.2756 0.1695 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9636 -0.4862 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1683 0.1773 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4464 -0.4612 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5709 0.2127 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0867 -0.5434 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2288 0.8154 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4091 0.8907 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9673 -1.5304 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1238 1.2231 0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5144 -1.5002 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5697 1.2643 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5377 -0.2316 -0.1922 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